Molecule FYI-1003762

A

Molecule Summary:

ID: FYI-1003762
Names:
InChIKey: RWCBTEANQKHSST-UHFFFAOYSA-N
SMILES: C#N.[Fe].C#N.C#N.C#N.C#N.C#N.[Fe].[Fe]

Received at FYIcenter.com on: 2023-07-25

Molecule ID: FYI-1003762 Edit

Molecule Structure InChIKey: RWCBTEANQKHSST-UHFFFAOYSA-N

Molecule Structure SMILES String: C#N.[Fe].C#N.C#N.C#N.C#N.C#N.[Fe].[Fe]

Download SDF Download SVG Structure in 2D SDF:

FYI-1003762
FYIcenter.com

 15  6  0  0  0  0  0  0  0  0999 V2000
    4.2625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412    0.2430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0436    8.5790    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    5.6412    3.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625    2.7631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4044    0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612    2.1924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1222    5.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7434    5.3903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025    6.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1026    5.3076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9348    2.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4136    1.6449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3814    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   10.6812    3.6292    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  5  4  3  0  0  0  0
  7  6  3  0  0  0  0
  9  8  3  0  0  0  0
 11 10  3  0  0  0  0
 13 12  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003762-3D
FYIcenter.com

 21 12  0  0  0  0  0  0  0  0999 V2000
   -1.1639    1.3008    1.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2190    1.8981    1.5853 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529   -6.0058    2.0460 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6729    1.2934   -2.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3266    1.6255   -3.2683 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898   -1.2879   -3.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3342   -0.1614   -3.5702 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400   -3.0913    0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6737   -4.1358    0.9827 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    3.4174   -0.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643    2.9599   -1.7842 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -0.2413    2.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7954   -1.1462    2.1322 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0957    9.1516    6.9406 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    2.3552    2.0515   -3.7785 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0111    0.6902    2.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5428    0.9640   -2.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6139   -2.2979   -3.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2318   -2.1058    0.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083    3.8112    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0147    0.5748    3.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 16  1  0  0  0  0
  4  5  3  0  0  0  0
  4 17  1  0  0  0  0
  6  7  3  0  0  0  0
  6 18  1  0  0  0  0
  8  9  3  0  0  0  0
  8 19  1  0  0  0  0
 10 11  3  0  0  0  0
 10 20  1  0  0  0  0
 12 13  3  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

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2023-08-03, 727👍, 0💬