Molecule Editor

Molecule ID: FYI-1002654 Edit

Molecule Structure InChIKey: DBHFFVZTQXTHQJ-IJRZPAASSA-L

Molecule Structure SMILES String: CCNc4ccc(/N=[N+]/2c1cc(C)ccc1O[Fe]2(Cl)c3ccccc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002654
FYIcenter.com

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    2.9001    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9474    0.9431    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    1.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2744    2.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0954    3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2205    1.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5364    0.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3261    0.6501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0308    1.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4094    2.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8450    3.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9018    4.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3374    5.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5232    4.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0877    2.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8002    2.3448    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6479    3.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795    4.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589    5.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589    6.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795    7.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795    8.6872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589    9.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589   10.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8002    6.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8002    5.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 27 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002654-3D
FYIcenter.com

 48 51  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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4 27  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  1  0  0  0
  7 26  2  0  0  0  0
  8  9  2  0  0  0  0
  9 18  1  6  0  0  0
  9 10  1  1  0  0  0
 10 16  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 25  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$