Molecule FYI-1002660

A

Molecule Summary:

ID: FYI-1002660
Names:
InChIKey: TXRQNUOAURROQH-QLCKKJBHSA-L
SMILES: CCN(CC)c4ccc(/N=[N+]/2c1cc(C)ccc1O[Fe]2(Cl)c3cc(C)cc(C)c3)cc4

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

Molecule ID: FYI-1002660 Edit

Molecule Structure InChIKey: TXRQNUOAURROQH-QLCKKJBHSA-L

Molecule Structure SMILES String: CCN(CC)c4ccc(/N=[N+]/2c1cc(C)ccc1O[Fe]2(Cl)c3cc(C)cc(C)c3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002660
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.6499    6.7877    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9429    5.4093    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    6.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2749    5.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4488    6.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7586    6.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2284    8.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9127    8.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923    9.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176    7.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7046    3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691    1.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5905    1.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5334    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0259    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830    3.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2303    4.8362    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4901    5.4391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6710    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8945    5.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1119    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1119    3.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3323    2.7223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5527    3.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5527    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3323    1.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1119    0.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8915    2.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6710    3.4269    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  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  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 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
 19  2  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  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 29 28  1  0  0  0  0
 30 24  1  0  0  0  0
 31 30  2  0  0  0  0
 31 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002660-3D
FYIcenter.com

 60 63  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 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
    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 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
    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 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6 31  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  1  0  0  0
  9 30  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  6  0  0  0
 11 12  1  1  0  0  0
 12 18  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  2  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 49  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 29  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 27  2  0  0  0  0
 26 54  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 31  1  0  0  0  0
 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 437👍, 0💬