Molecule FYI-1015305

A

Molecule Summary:

ID: FYI-1015305
Names:
InChIKey: MZUPWJXBAWIHEV-UHFFFAOYSA-K
SMILES: Cl[Ru](Cl)(Cl)(N1CCCC1)([N+]2=CNCC2)[n+]3cc[nH]c3

Received at FYIcenter.com on: 2025-08-02

Molecule ID: FYI-1015305 Edit

Molecule Structure InChIKey: MZUPWJXBAWIHEV-UHFFFAOYSA-K

Molecule Structure SMILES String: Cl[Ru](Cl)(Cl)(N1CCCC1)([N+]2=CNCC2)[n+]3cc[nH]c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015305
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.6648    3.0251    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3878    3.6480    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    4.5658    4.4424    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2887    5.0653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1108    4.2708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2099    2.8534    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8747    3.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7945    1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    1.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4869    2.2306    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5987    1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9308    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3481    0.0991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6919    1.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612    5.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8367    7.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    7.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1014    5.8072    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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  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  1  0  0  0  0
 15 11  2  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
  4 19  1  0  0  0  0
  4 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015305-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.0125    0.3714    0.2588 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4107    0.1809    0.1915 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    2.9992   -1.8262   -1.1019 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3463    1.4527   -1.8583 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6092   -0.0595    0.0378 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2339    0.2902   -1.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592   -0.9288   -2.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4569   -2.0102   -1.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9422   -1.4895    0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5332    1.9623    1.3832 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5017    2.7913    1.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2637    3.8733    2.2633 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9686    3.7212    2.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4741    2.3884    2.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -1.0125    1.9760 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3718   -1.8841    2.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533   -2.4111    3.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8024   -1.8703    3.9842 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2057   -1.0210    3.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3319    0.4271   -1.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    1.2348   -1.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550   -0.9435   -3.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9985   -1.0022   -2.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5694   -2.0081   -1.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1214   -3.0379   -1.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7156   -1.6450    0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0443   -2.0421    0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3966    2.6853    0.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8961    4.6722    2.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3099    4.5659    2.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0506    3.6819    3.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5281    2.5583    1.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3204    1.6302    3.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5140   -2.1077    1.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0575   -3.1335    4.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2717   -2.0675    4.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1015   -0.4181    3.0764 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  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$

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2025-08-18, 673👍, 0💬