Molecule FYI-1001487

Home > Molecule

A

Molecule Summary:

ID: FYI-1001487
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-1001487 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-1001487
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-1001487-3D
FYIcenter.com

 45 47  0  0  0  0  0  0  0  0999 V2000
    1.3979    0.8263    0.7094 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640    0.5749    0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2396    1.0172   -0.6509 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.6375    2.1743   -1.3421 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0405    3.1815   -0.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4536    4.2416   -1.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4979    4.2683   -2.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1473    3.2423   -3.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7223    2.2009   -2.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669   -0.3047    1.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8650   -0.3348    2.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4283   -1.0216    0.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2052   -1.9027    1.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8043   -3.2201    2.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5002   -4.0275    2.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6203   -3.5505    3.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0277   -2.2309    3.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3277   -1.4147    2.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100   -4.3849    4.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849   -5.7849    4.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9784   -6.5757    5.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5338   -5.9889    6.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4968   -4.5950    6.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8891   -3.8117    5.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1506   -6.8244    7.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0635   -8.1660    7.5484 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4752   -6.5609    7.9459 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5645   -6.6104    8.9815 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0394    3.1321    0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596    5.0317   -0.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0293    5.0815   -3.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1983    3.2432   -4.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2305    1.3714   -3.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643    0.4796    2.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876   -0.2158    3.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497   -1.2788    2.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7580   -1.0067   -0.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9314   -3.6218    1.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1245   -5.0341    3.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8988   -1.8072    3.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6549   -0.3894    2.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9752   -6.2891    3.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9941   -7.6577    5.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9265   -4.1074    7.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8526   -2.7355    5.9610 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, 422👍, 0💬