Molecule FYI-1011593

A

Molecule Summary:

ID: FYI-1011593
Names:
InChIKey: PMIXVOYDYBMOFR-UHFFFAOYSA-L
SMILES: CCCC[n+]2ccc(c1cc[n+](CCCC)cc1)cc2.[I-].[I-]

Received at FYIcenter.com on: 2024-08-10

Molecule ID: FYI-1011593 Edit

Molecule Structure InChIKey: PMIXVOYDYBMOFR-UHFFFAOYSA-L

Molecule Structure SMILES String: CCCC[n+]2ccc(c1cc[n+](CCCC)cc1)cc2.[I-].[I-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1011593
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    8.4871    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3000    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    9.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4000   12.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   13.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
   10.5000    8.4871    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
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 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011593-3D
FYIcenter.com

 48 47  0  0  0  0  0  0  0  0999 V2000
    7.8183   -1.1348    1.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0606   -1.1800    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5472   -1.1507    0.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620   -1.2143   -0.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9888   -2.4771   -1.2636 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5495   -2.4745   -2.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7277   -3.6678   -3.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -4.8875   -2.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3975   -6.1653   -3.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3332   -6.3448   -4.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3423   -7.5339   -5.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386   -8.5231   -4.9197 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4291   -9.7488   -5.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0968   -9.9231   -6.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7951   -8.7402   -7.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4816   -8.9596   -8.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7547   -4.8614   -1.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6063   -3.6561   -0.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677    3.3038   -1.0370 I   0  5  0  0  0  0  0  0  0  0  0  0
    0.3823   -3.6962   -0.2966 I   0  5  0  0  0  0  0  0  0  0  0  0
    8.9108   -1.1389    1.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5635   -2.0236    2.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
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  4 30  1  0  0  0  0
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  5 20  2  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  1  0  0  0  0
  9 18  2  0  0  0  0
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 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
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 12 17  2  0  0  0  0
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 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1215👍, 0💬