Molecule FYI-1002673

A

Molecule Summary:

ID: FYI-1002673
Names:
InChIKey: DLNTVWWVSZJVBY-UHFFFAOYSA-M
SMILES: Cc5cc(C4CC3c1cccc[n+]1[Fe](Cl)(c2ccc(C(C)C)cc2)N3N4)ccn5

Received at FYIcenter.com on: 2023-04-17

Molecule ID: FYI-1002673 Edit

Molecule Structure InChIKey: DLNTVWWVSZJVBY-UHFFFAOYSA-M

Molecule Structure SMILES String: Cc5cc(C4CC3c1cccc[n+]1[Fe](Cl)(c2ccc(C(C)C)cc2)N3N4)ccn5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002673
FYIcenter.com

 29 33  0  0  0  0  0  0  0  0999 V2000
    4.8881    1.2653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0278    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    2.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8710    0.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1670    9.7449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1771    8.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8248    9.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5611    5.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 22  1  0  0  0  0
 29 21  1  0  0  0  0
 29 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002673-3D
FYIcenter.com

 55 59  0  0  1  0  0  0  0  0999 V2000
   -1.1374    1.9153   -0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4301   -5.1499   -1.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  2  0  0  0  0
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 28 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1766👍, 0💬