Molecule FYI-1007169

A

Molecule Summary:

ID: FYI-1007169
Names:
InChIKey: CVLNHNOXZSJTLL-ZRDIBKRKSA-N
SMILES: Oc3cc(/C=C/c2ccc1ccccc1c2)nc4ccccc34

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007169 Edit

Molecule Structure InChIKey: CVLNHNOXZSJTLL-ZRDIBKRKSA-N

Molecule Structure SMILES String: Oc3cc(/C=C/c2ccc1ccccc1c2)nc4ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1007169
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  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
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 17 23  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007169-3D
FYIcenter.com

 38 41  0     0  0  0  0  0  0999 V2000
    4.7510    2.4607   -0.8858 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2734   -0.4776    0.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378   -0.7757    0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5400    0.2114   -0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7694    0.7678    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2587   -0.6205   -0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    0.1610    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7879    0.4764    0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8659   -0.7639   -0.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0156    1.5591   -0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5502    1.7794   -0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3467    0.9743    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479   -0.0031    0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5272    1.2397    0.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9084    1.3977    0.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1261   -2.0475    0.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9050   -0.0647   -0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1381   -1.5417   -0.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1807    0.6198    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4898   -2.3263    0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3758   -1.3377    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5194   -1.3837   -0.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0397   -0.3050   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6562   -1.1901    0.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4547   -1.6060   -1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1663    2.7635   -0.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0366    1.9977    0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313   -1.0084   -0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8978    1.9719    1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2936    2.2456    1.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4498   -2.8298    0.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095    0.6923   -0.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7539   -2.3925   -1.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6096    1.4553    1.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8618   -3.3164    0.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4356   -1.5607   -0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1886   -2.1033   -1.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1151   -0.1825   -0.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  2  0  0  0  0
  4 10  1  0  0  0  0
  4 17  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  2  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  1  0  0  0  0
 16 31  1  0  0  0  0
 17 21  1  0  0  0  0
 17 32  1  0  0  0  0
 18 22  1  0  0  0  0
 18 33  1  0  0  0  0
 19 23  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  2  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-18, 2241👍, 0💬