Molecule Editor

Molecule ID: FYI-1015373 Edit

Molecule Structure InChIKey: IWUXNZBZGCSDOS-UHFFFAOYSA-L

Molecule Structure SMILES String: Cl[Cu]3(Cl)N(c1ccccn1)Cc2cccc[n+]23

Download SDF Download SVG Structure in 2D SDF:

FYI-1015373
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.8531    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    4.1923    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    3.3510    5.5237    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    4.4833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
  1 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015373-3D
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.5680    0.1965   -0.4413 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8339    0.1514   -0.5600 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    3.6328    0.3532   -2.6757 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6677    1.3541    0.6517 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4527    2.7489    0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0737    3.6821    1.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7840    5.0435    1.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8845    5.4541    0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2914    4.4966   -0.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5871    3.1830   -0.4145 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4628    0.6443    1.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3382   -0.8673    1.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9748   -1.8067    2.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8022   -3.1734    1.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0091   -3.5886    0.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3960   -2.6313    0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5773   -1.3196    0.3727 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7666    3.3709    2.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2521    5.7793    1.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6491    6.5023    0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5885    4.7916   -1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    0.8852    2.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5266    0.9541    1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5839   -1.4879    3.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2799   -3.9127    2.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8699   -4.6410    0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753   -2.9200   -0.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$