Molecule FYI-1006450

A

Molecule Summary:

ID: FYI-1006450
Names:
InChIKey: SGFFHEILEQJVBO-AXTYYQCESA-M
SMILES: Cl[Ru]4o[n+](=Cc2ccc1ccccc1c2)c3ccccc3[s+]4Cc5ccccc5

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

Molecule ID: FYI-1006450 Edit

Molecule Structure InChIKey: SGFFHEILEQJVBO-AXTYYQCESA-M

Molecule Structure SMILES String: Cl[Ru]4o[n+](=Cc2ccc1ccccc1c2)c3ccccc3[s+]4Cc5ccccc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006450
FYIcenter.com

 29 33  0  0  0  0  0  0  0  0999 V2000
    5.1555    4.1103    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    2.3775   12.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350   10.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050    9.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5176   10.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7602   11.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6901   12.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625    8.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797    8.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8224   10.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4072    6.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773    5.7470    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0324    4.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373    4.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7579    1.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1530    2.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7902    3.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8373    6.0658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757    3.4274    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    4.6580    1.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0336    1.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7850    1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3073    2.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9316    2.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4607    4.6167    0.0000 Cl  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
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  6  5  1  0  0  0  0
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  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
 13 20  1  0  0  0  0
 19 21  1  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  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 21 22  1  0  0  0  0
  1 29  1  0  0  0  0
 20  1  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006450-3D
FYIcenter.com

 48 52  0  0  0  0  0  0  0  0999 V2000
    0.4280   -0.1200   -0.1216 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7936    0.0594    0.2396 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    3.9845   -1.4552   -0.0538 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9053   -1.5373   -0.9802 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1692   -2.7650   -1.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3961   -3.9996   -0.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0311   -5.2285   -1.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3829   -6.4353   -0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0681   -6.4554   -0.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053   -7.6761   -0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915   -7.7027    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4317   -6.5094    0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0775   -5.2794    0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4021   -5.2404   -0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -4.0187   -0.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6174   -0.3648   -1.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6382   -0.5888   -2.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3438    0.4349   -3.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0920    1.7475   -2.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1341    2.0488   -1.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3823    1.0568   -1.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.9170   -0.1713 S   0  3  3  0  0  0  0  0  0  0  0  0
    5.0971    1.7245    1.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2484    2.3843    2.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9824    1.8568    2.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516    2.5030    3.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774    3.6793    4.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8423    4.2020    4.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6791    3.5568    3.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9470   -1.5491   -2.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1732    2.0950    3.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9253    4.1856    5.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1689    5.1149    4.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6480    3.9848    2.8737 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 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  3  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
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 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 37  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 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  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
 29 48  1  0  0  0  0
M  END
$$$$

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2023-12-31, 2663👍, 0💬