Molecule FYI-1007974

A

Molecule Summary:

ID: FYI-1007974
Names:
InChIKey: WSQGYULKSZMFAI-UHFFFAOYSA-N
SMILES: [La]c1c([U])sc7c1sc8c6c2nsnc2c5c4sc3c([La])c([U])sc3c4n([Pd])c5c6n([Pd])c78

Received at FYIcenter.com on: 2024-03-22

Molecule ID: FYI-1007974 Edit

Molecule Structure InChIKey: WSQGYULKSZMFAI-UHFFFAOYSA-N

Molecule Structure SMILES String: [La]c1c([U])sc7c1sc8c6c2nsnc2c5c4sc3c([La])c([U])sc3c4n([Pd])c5c6n([Pd])c78

Download SDF Download SVG Structure in 2D SDF:

FYI-1007974
FYIcenter.com

 33 40  0  0  0  0  0  0  0  0999 V2000
    0.3184    7.9737    0.0000 U   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 La  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 Pd  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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    7.6418    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2785    5.1565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2785    6.5565    0.0000 Pd  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
   14.0765    4.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4079    4.7663    0.0000 U   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 La  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
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
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 19 18  2  0  0  0  0
 19 11  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  2  0  0  0  0
 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
 32  5  2  0  0  0  0
 32  8  1  0  0  0  0
 33 32  1  0  0  0  0
 33  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007974-3D
FYIcenter.com

 33 40  0  0  0  0  0  0  0  0999 V2000
    2.2513   -0.6445   -1.8616 La  0  0  0  0  0  0  0  0  0  0  0  0
    4.0026    0.0583   -0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690   -0.4753    1.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9273   -2.5177    1.7136 U   0  0  0  0  0  0  0  0  0  0  0  0
    5.3802    0.1882    2.1027 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9338    1.0961    0.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1282    0.8224   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019    1.0271   -1.7571 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3215    1.1372   -0.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2463    0.1021   -0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5010   -1.0990   -1.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9016   -1.4892   -2.4337 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4967   -3.0266   -2.6201 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4787   -3.2427   -1.3062 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3609   -2.0627   -0.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9596   -1.7617    0.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7164   -2.4885    1.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3317   -4.0558    1.5419 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417   -3.6889    3.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6183   -4.4791    3.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1321   -6.9941    3.5144 La  0  0  0  0  0  0  0  0  0  0  0  0
   12.9319   -3.7560    5.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1144   -4.6751    7.0014 U   0  0  0  0  0  0  0  0  0  0  0  0
   12.3275   -2.1498    5.0276 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6869   -2.3992    3.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9442   -1.7188    2.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3739   -0.5019    2.4103 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3441    0.9837    3.7680 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    9.7441   -0.5514    1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8320    0.3317    0.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2555    1.3547    1.2493 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5484    2.7837    1.8383 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    7.1782    1.6286    0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 33  2  0  0  0  0
 10 11  1  0  0  0  0
 10 30  2  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  2  0  0  0  0
 17 18  1  0  0  0  0
 17 26  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
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 26 27  1  0  0  0  0
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 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 133👍, 0💬