Molecule FYI-1005136

A

Molecule Summary:

ID: FYI-1005136
Names:
InChIKey: PCSWXVJAIHCTMO-UHFFFAOYSA-P
SMILES: Cc2cc(N)c1ccccc1[n+]2CCCCCCCCCC[n+]4c(C)cc(N)c3ccccc34

Received at FYIcenter.com on: 2023-10-15

Molecule ID: FYI-1005136 Edit

Molecule Structure InChIKey: PCSWXVJAIHCTMO-UHFFFAOYSA-P

Molecule Structure SMILES String: Cc2cc(N)c1ccccc1[n+]2CCCCCCCCCC[n+]4c(C)cc(N)c3ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005136
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    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
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 N   0  3  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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3989    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
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 25 14  1  0  0  0  0
 25 20  1  0  0  0  0
 26  3  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
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 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 32  2  0  0  0  0
 34  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005136-3D
FYIcenter.com

 74 77  0     0  0  0  0  0  0999 V2000
    6.9190   -0.5312    0.6500 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.8995   -0.4892   -0.6655 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.6087   -0.5436   -1.2485 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7610   -1.7149   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 70  1  0  0  0  0
M  END
$$$$

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2023-10-27, 1625👍, 0💬