Molecule FYI-1006323

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A

Molecule Summary:

ID: FYI-1006323
Names:
InChIKey: OPPMNBYHIZCEGC-UHFFFAOYSA-N
SMILES: c3ccc(c2ccc(c1ccccn1)nc2)cc3

Received at FYIcenter.com on: 2023-12-09

Molecule ID: FYI-1006323 Edit

Molecule Structure InChIKey: OPPMNBYHIZCEGC-UHFFFAOYSA-N

Molecule Structure SMILES String: c3ccc(c2ccc(c1ccccn1)nc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006323
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2125    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3001    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    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    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
    8.4871    2.8000    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
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006323-3D
FYIcenter.com

 30 32  0     0  0  0  0  0  0999 V2000
    0.7476    0.9947   -0.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4381   -1.1806   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3511   -0.0419    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7973   -0.0067    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747   -0.0401    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733   -1.0892    0.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7171   -1.0958    0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.9668   -0.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8166    0.0199    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4908   -0.5966   -1.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4980    0.6170    1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8851   -0.5628   -1.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8923    0.6507    1.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4796    1.2366   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5858    0.0608   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8696    1.2199   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5447    0.0043   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7895   -1.1572   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120   -1.9055    1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -1.9117    1.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0743    1.8129   -1.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9601   -1.0870   -1.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    1.0817    1.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4251   -1.0220   -1.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4380    1.1363    1.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9600    2.1891    0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6714    0.0871   -0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4262    2.1522   -0.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6278   -0.0327   -0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2679   -2.1310   -0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
$$$$

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2023-12-17, 310👍, 0💬