Molecule FYI-1006914

A

Molecule Summary:

ID: FYI-1006914
Names:
InChIKey: GONIOWUNXSNGFA-UHFFFAOYSA-N
SMILES: O=C(Cc1ccc(Cl)cc1)c4ccc(OCc3cn(c2ccc(F)cc2)nn3)cc4OCc6cn(c5ccc(F)cc5)nn6

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006914 Edit

Molecule Structure InChIKey: GONIOWUNXSNGFA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cc1ccc(Cl)cc1)c4ccc(OCc3cn(c2ccc(F)cc2)nn3)cc4OCc6cn(c5ccc(F)cc5)nn6

Download SDF Download SVG Structure in 2D SDF:

FYI-1006914
FYIcenter.com

 44 49  0  0  0  0  0  0  0  0999 V2000
   11.4225    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6349    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8473    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0599    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2723    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4847    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4847    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6971    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.2723    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0599    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6349    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8473    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8473    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6349    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6349    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8473    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8473    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9799    9.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5473   10.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3703   11.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7626   11.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5855   12.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0161   13.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8390   15.0849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.6238   14.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8009   12.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1473   10.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7147    9.2230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4225    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4225    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2101    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5063    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5694    1.6290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1771    1.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    3.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    2.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2144    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    0.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2694    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6389    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  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 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26 20  1  0  0  0  0
 27 19  1  0  0  0  0
 28 27  2  0  0  0  0
 28 17  1  0  0  0  0
 29 14  1  0  0  0  0
 30 29  2  0  0  0  0
 30 11  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  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 39  1  0  0  0  0
 42 41  2  0  0  0  0
 42 36  1  0  0  0  0
 43 35  1  0  0  0  0
 44 43  2  0  0  0  0
 44 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006914-3D
FYIcenter.com

 67 72  0  0  0  0  0  0  0  0999 V2000
    1.8707    0.2581    1.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195   -0.0304    0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894   -1.4309   -0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0926   -1.5952   -1.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9186   -0.7869   -2.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1974   -0.9438   -3.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1421   -1.9218   -3.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5181   -2.1088   -4.1305 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9770   -2.7477   -2.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1376   -2.5858   -1.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1467    1.0569   -0.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7446    2.3787   -0.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3845    3.4840   -0.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4790    3.2842   -1.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1495    4.3806   -2.2845 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4926    4.1014   -2.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3029    5.3240   -2.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9416    6.6258   -2.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0766    7.3470   -2.8916 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2451    8.7457   -2.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1836    9.5583   -2.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3555   10.9399   -2.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768   11.4964   -2.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7336   12.8248   -2.6005 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6368   10.7016   -3.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4738    9.3187   -3.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0786    6.5113   -3.2634 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6139    5.2694   -3.2402 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    1.9862   -2.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1725    0.8664   -1.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5319   -0.3848   -2.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1764   -0.4046   -3.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028   -1.7179   -4.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9946   -2.4507   -4.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4978   -3.5681   -4.9737 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7968   -4.7036   -5.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4010   -4.7769   -5.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7366   -5.9358   -5.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4606   -7.0098   -6.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8171   -8.1305   -6.5573 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8391   -6.9373   -6.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5152   -5.7832   -5.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8456   -3.4662   -5.0697 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2231   -2.3427   -4.4819 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1921   -2.0973    0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1902   -1.7879   -1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6393   -0.0165   -2.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3264   -0.2934   -4.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7143   -3.5109   -1.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2470   -3.2317   -0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9185    2.5559    0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0467    4.4904   -0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511    3.6155   -3.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058    3.4511   -2.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9975    7.0509   -2.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2179    9.1529   -2.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5427   11.5785   -1.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5810   11.1628   -3.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3123    8.7062   -3.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6913    1.8413   -2.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2311   -0.1280   -3.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6832    0.3029   -4.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442   -2.2722   -4.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8047   -3.9629   -4.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6561   -6.0178   -5.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3866   -7.7912   -6.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -5.7448   -6.0718 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 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 45  1  0  0  0  0
  3 46  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 47  1  0  0  0  0
  6  7  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  2  0  0  0  0
 12 13  2  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 13 52  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  2  0  0  0  0
 21 56  1  0  0  0  0
 22 23  1  0  0  0  0
 22 57  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 60  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 34  2  0  0  0  0
 33 44  1  0  0  0  0
 34 35  1  0  0  0  0
 34 63  1  0  0  0  0
 35 36  1  0  0  0  0
 35 43  1  0  0  0  0
 36 37  1  0  0  0  0
 36 42  2  0  0  0  0
 37 38  2  0  0  0  0
 37 64  1  0  0  0  0
 38 39  1  0  0  0  0
 38 65  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 66  1  0  0  0  0
 42 67  1  0  0  0  0
 43 44  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 1066👍, 0💬