Molecule FYI-1006451

A

Molecule Summary:

ID: FYI-1006451
Names:
InChIKey: XTEGNJOFPYXUSP-BYEGLACWSA-L
SMILES: Cl[Ru]13Oc5c(C=[N+]1c2ccccc2[S+]3Cc4ccccc4)ccc6ccccc56

Received at FYIcenter.com on: 2023-12-21

Molecule ID: FYI-1006451 Edit

Molecule Structure InChIKey: XTEGNJOFPYXUSP-BYEGLACWSA-L

Molecule Structure SMILES String: Cl[Ru]13Oc5c(C=[N+]1c2ccccc2[S+]3Cc4ccccc4)ccc6ccccc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1006451
FYIcenter.com

 29 34  0  0  0  0  0  0  0  0999 V2000
    5.0504    4.0265    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    2.3290   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0915   10.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397    9.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255   10.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6632   11.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6149   12.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021    8.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6162    7.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5679    8.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8056   10.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3785    6.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4268    5.6298    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9910    4.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243    4.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7424    1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1091    1.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7333    3.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0906    3.3575    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    4.5630    1.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9106    1.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3786    0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6059    1.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1379    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7903    2.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3290    4.5226    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1012    7.6026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  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
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  3  1  0  0  0  0
 12  9  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 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 19 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 20 21  1  0  0  0  0
  1 28  1  0  0  0  0
  8 29  1  0  0  0  0
 29  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006451-3D
FYIcenter.com

 47 52  0  0  0  0  0  0  0  0999 V2000
    1.2806    0.2814   -1.2402 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6997    0.5550   -1.2177 Ru  0  0  3  0  0  0  0  0  0  0  0  0
    3.2074    2.4722   -1.7832 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2270    3.0019   -1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2423    2.7645    0.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550    2.3136    1.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1607    1.3531    0.6139 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2454    0.6919    1.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1655    1.3727    2.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2774    0.6945    2.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -0.6648    2.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5490   -1.3482    1.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4596   -0.6715    0.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2689   -1.5654   -0.0517 S   0  3  3  0  0  0  0  0  0  0  0  0
    3.0462   -1.4594    1.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7134   -2.1413    1.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6575   -3.5103    0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214   -4.1471    0.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7669   -3.4264    0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7251   -2.0663    1.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022   -1.4214    1.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0531    2.9046    1.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1273    3.2937    0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0891    3.7064   -0.9143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2489    4.2079   -1.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1767    4.7372   -2.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310    4.7348   -3.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691    4.1442   -2.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1146    3.6223   -1.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.6581    2.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0562    2.4344    2.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0058    1.2201    3.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3201   -1.1896    2.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6905   -2.4029    1.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8513   -0.4079    1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5181   -1.9367    2.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5693   -4.0808    0.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865   -5.2038    0.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7221   -3.9217    0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6486   -1.5103    1.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5126   -0.3706    1.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183    2.6260    2.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0525    3.3008    0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1888    4.2106   -1.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    5.1504   -3.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0804    5.1959   -4.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0977    4.1580   -3.5198 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  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  2  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 2228👍, 0💬