Molecule FYI-1007886

A

Molecule Summary:

ID: FYI-1007886
Names:
InChIKey: ZPSIORBJGHEBSC-UHFFFAOYSA-N
SMILES: CCCCC(CC)Cn8c2c1sc([Pd])c([Pd])c1sc2c7c3nsnc3c6c5sc4c([Pd])c([Pd])sc4c5n(CC(CC)CCCC)c6c78

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007886 Edit

Molecule Structure InChIKey: ZPSIORBJGHEBSC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(CC)Cn8c2c1sc([Pd])c([Pd])c1sc2c7c3nsnc3c6c5sc4c([Pd])c([Pd])sc4c5n(CC(CC)CCCC)c6c78

Download SDF Download SVG Structure in 2D SDF:

FYI-1007886
FYIcenter.com

 47 54  0  0  0  0  0  0  0  0999 V2000
    0.3184    7.9737    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    1.3587    7.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9445    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    2.4913    5.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1913    3.8626    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5608    4.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7071    5.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0764    5.8372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6459    7.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8230    8.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4307    8.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8612    6.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3924    9.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5696   10.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1390   11.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5313   12.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7764    4.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2723    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7034    9.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7034   10.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4909   11.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4111    4.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9785    3.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1111    2.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2437    3.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8111    4.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9437    5.1565    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0764    4.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4078    4.7663    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
   13.6437    3.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4666    1.8696    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    7.3279    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 37 25  1  0  0  0  0
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 39 38  1  0  0  0  0
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 40 36  1  0  0  0  0
 41 40  1  0  0  0  0
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 44 42  2  0  0  0  0
 44 39  1  0  0  0  0
 45 44  1  0  0  0  0
 46  5  2  0  0  0  0
 46  8  1  0  0  0  0
 47 46  1  0  0  0  0
 47  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007886-3D
FYIcenter.com

 81 88  0  0  1  0  0  0  0  0999 V2000
    5.6316    3.4901    3.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3224    2.9396    2.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    3.8244    1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5904    3.4159    0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1432    2.0791   -0.6080 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5852    1.8746   -0.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0203    0.4931   -0.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4594    2.2003   -2.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292    1.9405   -2.6743 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0874    0.6641   -3.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4555   -0.5910   -3.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -1.3895   -2.2505 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2038   -2.6972   -3.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9389   -4.3177   -3.2502 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    7.1403   -2.4915   -4.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1549   -3.5204   -6.1151 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    7.9393   -1.3966   -4.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8014    1.7318   -3.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    1.9108   -4.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9222    0.9082   -4.5981 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3382    1.7514   -4.8279 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8976    3.3004   -4.4675 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    3.1754   -4.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250    4.2134   -3.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0817    5.4672   -3.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5800    6.1153   -4.3066 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5778    8.7507   -4.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6233    8.7278   -4.7515 Pd  0  0  0  0  0  0  0  0  0  0  0  0
   11.7578    9.8340   -4.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5066   11.7537   -4.4454 Pd  0  0  0  0  0  0  0  0  0  0  0  0
   10.1396    9.2812   -3.9387 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-04-14, 141👍, 0💬