Molecule FYI-1012681

A

Molecule Summary:

ID: FYI-1012681
Names:
InChIKey: AHPQIENZOKWRFO-LDRANXPESA-N
SMILES: Cc3cc(/C=C/c2ccc(/C=C/c1ccc(N(C)C)cc1)cc2)[n+]5c3=Cc4cccn4[B-]5(F)F

Received at FYIcenter.com on: 2024-10-09

Molecule ID: FYI-1012681 Edit

Molecule Structure InChIKey: AHPQIENZOKWRFO-LDRANXPESA-N

Molecule Structure SMILES String: Cc3cc(/C=C/c2ccc(/C=C/c1ccc(N(C)C)cc1)cc2)[n+]5c3=Cc4cccn4[B-]5(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1012681
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
   14.4282   12.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4914   11.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1914   10.0642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7588    8.7327    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0
   12.4274    9.1653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7184    7.7959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.6956    7.6923    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4977    9.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5609   10.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7072   11.7476    0.0000 C   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  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
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 34 33  2  0  0  0  0
 34  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012681-3D
FYIcenter.com

 60 64  0  0  0  0  0  0  0  0999 V2000
    3.3682   -0.2213   -4.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9203   -0.1741   -3.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4639    0.6378   -2.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0293    0.3784   -2.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8281    1.0232   -1.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2780    1.8127   -0.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0177    2.3196    0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2566    2.6344    1.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8763    2.9802    2.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1071    3.5811    6.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5047    3.5469    6.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1323    3.6573    7.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4002    3.8148    8.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0691    3.9330   10.1686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5213    3.9143   10.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3521    4.0810   11.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9847    3.8412    8.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3603    3.7237    7.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-11-23, 574👍, 0💬