Molecule FYI-1014366

A

Molecule Summary:

ID: FYI-1014366
Names:
InChIKey: BIFQPSZCWOSJTP-UHFFFAOYSA-N
SMILES: CCN(CC)c4ccc(/C=C/c3cc[n+](CCCCCCCCCC[n+]2ccc(/C=C/c1ccc(N(CC)CC)cc1)c(C)c2)cc3C)cc4

Received at FYIcenter.com on: 2025-04-07

Molecule ID: FYI-1014366 Edit

Molecule Structure InChIKey: BIFQPSZCWOSJTP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)c4ccc(/C=C/c3cc[n+](CCCCCCCCCC[n+]2ccc(/C=C/c1ccc(N(CC)CC)cc1)c(C)c2)cc3C)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014366
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    5.1193   21.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4348   22.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5073   21.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8228   21.8287    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.8953   20.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6522   19.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7247   18.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4816   17.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5541   16.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3109   14.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3833   14.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1403   12.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2127   11.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9696   10.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0420    9.5356    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.7990    8.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8714    7.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6284    5.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1870    7.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594    6.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0164    5.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0888    4.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8458    3.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9182    2.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2338    2.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3062    1.8575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.0632    0.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7475    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6218    2.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8649    3.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4768    4.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4044    5.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4301    9.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3577   10.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0660   23.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9935   24.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6779   23.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6054   24.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8486   25.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7761   26.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0192   28.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   29.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312   28.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5587   29.5068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018   30.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1173   31.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2431   29.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   27.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880   27.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4605   26.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  1  0  0  0  0
 31 25  1  0  0  0  0
 32 31  2  0  0  0  0
 32 22  1  0  0  0  0
 33 19  1  0  0  0  0
 34 33  2  0  0  0  0
 34 15  1  0  0  0  0
 35  4  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 37  2  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 44  1  0  0  0  0
 48 47  1  0  0  0  0
 49 43  1  0  0  0  0
 50 49  2  0  0  0  0
 50 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014366-3D
FYIcenter.com

114117  0  0  0  0  0  0  0  0999 V2000
   27.4558    0.6918   -8.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6378    1.1056   -6.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2056    1.2595   -7.1806 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.7845    2.2625   -8.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4735    3.6297   -7.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3185    1.0460   -6.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7131    1.1843   -4.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8406    0.9209   -3.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5264    0.5233   -3.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5941    0.1731   -2.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6268    0.7454   -1.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6892    0.3639   -0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5006    1.0962   -0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6129    0.7865    0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8866   -0.1991    1.3558 N   0  3  0  0  0  0  0  0  0  0  0  0
   17.9400   -0.4515    2.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3113    0.4284    3.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3967    0.1499    4.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4579   -1.3092    5.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8675   -1.7398    5.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3848   -0.9332    6.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4901   -1.0872    8.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4195   -2.5319    8.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7875   -3.0814    9.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4125   -2.2444   10.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7654   -2.7507   10.4079 N   0  3  0  0  0  0  0  0  0  0  0  0
   22.8157   -2.1904    9.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0833   -2.7188    9.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2771   -3.8351   10.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6075   -4.4490   10.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7610   -3.7635   10.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0879   -4.3897   10.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3092   -5.7136   10.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5910   -6.2711   10.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7016   -5.5265   10.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9597   -6.0985   11.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.1548   -5.3554   10.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9155   -4.8055   11.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1242   -7.5033   11.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6566   -7.7208   12.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4714   -4.1810   11.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1881   -3.6196   11.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1701   -4.3922   11.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2092   -5.5969   12.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9219   -3.8067   11.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0128   -0.9432    1.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9494   -0.6795    0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2091   -1.5018    0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1137    0.3918   -5.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9947    0.6573   -6.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4414    0.3380   -7.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.6184    1.5323   -8.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9709   -0.1172   -8.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0477    2.0221   -6.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7720    0.2923   -6.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9068    1.8995   -8.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5640    2.3920   -8.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6053    3.5933   -6.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2365    4.3426   -8.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3217    4.0224   -7.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7228    1.5086   -4.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2249    1.0173   -2.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8531   -0.5860   -3.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3387    1.5237   -1.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2709    1.9066   -1.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6851    1.3294    0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9970   -1.5197    2.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9250   -0.2377    2.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2361    1.4876    3.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3622    0.2782    3.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3637    0.3975    4.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6609    0.8260    5.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1001   -1.9805    4.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7462   -1.4517    6.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5714   -1.6429    4.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8613   -2.8098    5.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4601    0.1286    6.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4145   -1.2365    7.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4755   -0.7338    7.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8497   -0.4181    8.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9734   -3.1846    7.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7493   -2.5788    9.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4531   -3.1228    8.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6803   -4.1235    9.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8330   -2.3074   11.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5185   -1.1880    9.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6300   -1.3383    9.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9055   -2.2654    9.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6269   -5.5296   10.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7707   -2.6780   10.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5019   -6.3462   10.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.7050   -7.3060   10.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.9030   -4.5406    9.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.8181   -6.0217   10.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.3121   -4.0980   12.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.8143   -4.2802   11.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.2259   -5.6062   12.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.1795   -7.7925   11.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.5929   -8.1748   10.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1958   -7.0641   13.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.8328   -8.7572   13.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.5870   -7.5175   12.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.2893   -3.5503   11.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0731   -2.5806   11.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2041   -6.0258   12.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5577   -6.3774   11.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8462   -5.3242   13.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0268   -4.1984   11.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1530   -1.7297    1.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2181   -2.2846    0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0844   -0.8663    0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2925   -1.9978   -0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1049    0.0699   -5.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6421    0.5132   -7.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 51  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  2  3  1  0  0  0  0
  2 54  1  0  0  0  0
  2 55  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 56  1  0  0  0  0
  4 57  1  0  0  0  0
  5 58  1  0  0  0  0
  5 59  1  0  0  0  0
  5 60  1  0  0  0  0
  6  7  1  0  0  0  0
  6 50  2  0  0  0  0
  7  8  2  0  0  0  0
  7 61  1  0  0  0  0
  8  9  1  0  0  0  0
  8 62  1  0  0  0  0
  9 10  1  0  0  0  0
  9 49  2  0  0  0  0
 10 11  2  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 64  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  2  0  0  0  0
 13 14  2  0  0  0  0
 13 65  1  0  0  0  0
 14 15  1  0  0  0  0
 14 66  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  2  0  0  0  0
 16 17  1  0  0  0  0
 16 67  1  0  0  0  0
 16 68  1  0  0  0  0
 17 18  1  0  0  0  0
 17 69  1  0  0  0  0
 17 70  1  0  0  0  0
 18 19  1  0  0  0  0
 18 71  1  0  0  0  0
 18 72  1  0  0  0  0
 19 20  1  0  0  0  0
 19 73  1  0  0  0  0
 19 74  1  0  0  0  0
 20 21  1  0  0  0  0
 20 75  1  0  0  0  0
 20 76  1  0  0  0  0
 21 22  1  0  0  0  0
 21 77  1  0  0  0  0
 21 78  1  0  0  0  0
 22 23  1  0  0  0  0
 22 79  1  0  0  0  0
 22 80  1  0  0  0  0
 23 24  1  0  0  0  0
 23 81  1  0  0  0  0
 23 82  1  0  0  0  0
 24 25  1  0  0  0  0
 24 83  1  0  0  0  0
 24 84  1  0  0  0  0
 25 26  1  0  0  0  0
 25 85  1  0  0  0  0
 25 86  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  2  0  0  0  0
 27 28  2  0  0  0  0
 27 87  1  0  0  0  0
 28 29  1  0  0  0  0
 28 88  1  0  0  0  0
 29 30  1  0  0  0  0
 29 43  2  0  0  0  0
 30 31  2  0  0  0  0
 30 89  1  0  0  0  0
 31 32  1  0  0  0  0
 31 90  1  0  0  0  0
 32 33  1  0  0  0  0
 32 42  2  0  0  0  0
 33 34  2  0  0  0  0
 33 91  1  0  0  0  0
 34 35  1  0  0  0  0
 34 92  1  0  0  0  0
 35 36  1  0  0  0  0
 35 41  2  0  0  0  0
 36 37  1  0  0  0  0
 36 39  1  0  0  0  0
 37 38  1  0  0  0  0
 37 93  1  0  0  0  0
 37 94  1  0  0  0  0
 38 95  1  0  0  0  0
 38 96  1  0  0  0  0
 38 97  1  0  0  0  0
 39 40  1  0  0  0  0
 39 98  1  0  0  0  0
 39 99  1  0  0  0  0
 40100  1  0  0  0  0
 40101  1  0  0  0  0
 40102  1  0  0  0  0
 41 42  1  0  0  0  0
 41103  1  0  0  0  0
 42104  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 44105  1  0  0  0  0
 44106  1  0  0  0  0
 44107  1  0  0  0  0
 45108  1  0  0  0  0
 46 47  1  0  0  0  0
 46109  1  0  0  0  0
 47 48  1  0  0  0  0
 48110  1  0  0  0  0
 48111  1  0  0  0  0
 48112  1  0  0  0  0
 49 50  1  0  0  0  0
 49113  1  0  0  0  0
 50114  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 929👍, 0💬