Molecule FYI-1016478

A

Molecule Summary:

ID: FYI-1016478
Names:
InChIKey: QCOMGDSLSIXODG-UHFFFAOYSA-Q
SMILES: O=C(O)c5c[n+](C1CC1)c4cc([n+]3cc[n+](C(=O)c2cc(Br)c(O)c(Br)c2O)cc3)c(F)cc4[c+]5=O

Received at FYIcenter.com on: 2026-01-11

Molecule ID: FYI-1016478 Edit

Molecule Structure InChIKey: QCOMGDSLSIXODG-UHFFFAOYSA-Q

Molecule Structure SMILES String: O=C(O)c5c[n+](C1CC1)c4cc([n+]3cc[n+](C(=O)c2cc(Br)c(O)c(Br)c2O)cc3)c(F)cc4[c+]5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016478
FYIcenter.com

 36 40  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6368    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0368    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4242    6.1773    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.6000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  7 15  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 27 32  1  0  0  0  0
 28 33  1  0  0  0  0
 25 34  2  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016478-3D
FYIcenter.com

 52 56  0  0  1  0  0  0  0  0999 V2000
   10.6816    0.4682    4.9912 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3632   -0.6249    5.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0547   -1.2899    6.3474 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1694   -1.3001    4.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4240   -0.7367    3.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2451   -1.3278    3.2888 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4812   -0.4170    2.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9905   -0.3645    2.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4280   -0.8043    1.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929   -2.4996    3.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411   -3.6397    3.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6093   -4.4991    4.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9190   -5.9165    4.1489 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.5939   -6.6082    3.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8600   -7.9838    3.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4512   -8.6413    4.4606 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4739  -10.0989    4.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3388  -10.6063    3.8038 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5061  -10.9519    5.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8856  -12.2439    5.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9699  -13.0740    6.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5081  -14.8239    6.7882 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6795  -12.6231    6.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792  -13.4021    7.2649 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2891  -11.3471    6.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5383  -10.6908    6.5476 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1929  -10.5230    5.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7721   -9.2949    5.0462 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9909   -7.9190    5.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6823   -6.5798    5.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2777   -3.8440    5.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0728   -4.0536    5.9202 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2427   -3.1479    5.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3461   -2.8729    5.0891 C   0  0  3  0  0  3  0  0  0  0  0  0
    8.6839   -2.5352    5.5208 C   0  3  0  0  0  0  0  0  0  0  0  0
    9.3167   -3.2566    6.2713 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7653   -2.1796    6.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7321    0.2405    3.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9418    0.5580    2.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5327    0.6170    2.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5161   -1.1019    3.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2263   -0.1031    0.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2648   -1.8265    1.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2278   -3.8802    2.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9447   -6.0840    2.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3604   -8.5691    2.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8839  -12.6235    5.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1728  -14.2719    7.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7944   -9.2745    5.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8196   -8.4204    6.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2569   -6.0532    6.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1440   -2.6783    6.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  2  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  2  0  0  0  0
 14 15  2  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  2  0  0  0  0
 20 21  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 52  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 680👍, 0💬