Molecule FYI-1001488

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Molecule Summary:

ID: FYI-1001488
SMILES: O=C([N-][N+]1=CC=CC=C1)C(\\C)=C\\C2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

Received at FYIcenter.com on: 2022-08-17

Molecule ID: FYI-1001488 Edit

Molecule Structure SMILES String: O=C([N-][N+]1=CC=CC=C1)C(C)=CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001488
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 N   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
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  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
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.3124    0.0000 F   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  2  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  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  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  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001488-3D
FYIcenter.com

 45 47  0  0  0  0  0  0  0  0999 V2000
    1.2677    0.9608   -0.3523 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4357    0.5804   -0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0957   -0.1687   -1.1703 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.4727   -0.2390   -2.5106 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.8643    0.8291   -3.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2677    0.7212   -4.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047   -0.4896   -5.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9602   -1.5673   -4.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5488   -1.4153   -3.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2521    0.9929    0.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7488    2.2353    1.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3174    0.2854    1.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0636    0.6475    2.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359    0.1949    3.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2527    0.6574    4.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3197    1.5754    4.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7738    1.9652    3.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1514    1.5169    2.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8898    2.1522    6.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9104    1.4339    7.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3635    2.0117    8.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8301    3.3303    8.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8530    4.0485    7.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3845    3.4698    6.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2860    3.9810    9.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1498    3.1830   11.0007 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5977    4.3452    9.8694 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5910    5.1187   10.1867 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8682    1.7637   -2.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7665    1.5832   -4.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8267   -0.5929   -5.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0056   -2.5250   -4.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0609   -2.2277   -2.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    2.8099    0.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5713    2.9183    1.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2260    1.9719    2.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6527   -0.6214    0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7914   -0.4865    3.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    0.3182    5.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6124    2.6501    3.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5011    1.8826    1.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5612    0.4038    7.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3357    1.4227    9.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    5.0753    7.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3827    4.0876    5.3389 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 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  3  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1515👍, 0💬