Molecule FYI-1002672

A

Molecule Summary:

ID: FYI-1002672
Names:
InChIKey: IFKKLBCANDAMQB-UHFFFAOYSA-M
SMILES: Cc5cc(C)cc([Fe]4(Cl)N2NC(c1ccnc(C)c1)CC2c3cccc[n+]34)c5

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

Molecule ID: FYI-1002672 Edit

Molecule Structure InChIKey: IFKKLBCANDAMQB-UHFFFAOYSA-M

Molecule Structure SMILES String: Cc5cc(C)cc([Fe]4(Cl)N2NC(c1ccnc(C)c1)CC2c3cccc[n+]34)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002672
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
    5.2302    8.4534    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    7.7534    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    5.1920    6.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5402    5.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6135    6.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8609    7.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4394    7.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389    8.3228    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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 27 21  1  0  0  0  0
 28 20  1  0  0  0  0
 28 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002672-3D
FYIcenter.com

 52 56  0  0  1  0  0  0  0  0999 V2000
    1.9560    1.5402   -0.7253 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2790   -3.1992   -0.9443 N   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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  5 35  1  0  0  0  0
  6  7  2  0  0  0  0
  6 36  1  0  0  0  0
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 28 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1950👍, 0💬