Molecule FYI-1007964

A

Molecule Summary:

ID: FYI-1007964
Names:
InChIKey: BMDRMWWXAIWBKE-UHFFFAOYSA-N
SMILES: [Pd]c8sc6c(sc7c5c1nsnc1c4c3sc2c([Pd])c([Pd])sc2c3n([Pd])c4c5n([Pd])c67)c8[Pd]

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

Molecule ID: FYI-1007964 Edit

Molecule Structure InChIKey: BMDRMWWXAIWBKE-UHFFFAOYSA-N

Molecule Structure SMILES String: [Pd]c8sc6c(sc7c5c1nsnc1c4c3sc2c([Pd])c([Pd])sc2c3n([Pd])c4c5n([Pd])c67)c8[Pd]

Download SDF Download SVG Structure in 2D SDF:

FYI-1007964
FYIcenter.com

 33 40  0  0  0  0  0  0  0  0999 V2000
    0.2654    7.8644    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    1.3220    6.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    5.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8302    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    2.4886    5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2097    3.8041    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5739    4.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6959    5.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0599    5.8287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6070    7.1174    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    6.7810    4.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625    3.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3183    2.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6396    1.0238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5945    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8632    0.5916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6927    1.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6111    3.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1553    4.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2734    5.2040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2490    6.6038    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
   10.4202    4.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0109    3.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1577    2.2592    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2757    3.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8200    4.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9380    5.2680    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0850    4.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4086    4.9209    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
   13.6755    3.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5181    2.0082    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    3.4072    6.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862    7.2608    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
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 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-1007964-3D
FYIcenter.com

 33 40  0  0  0  0  0  0  0  0999 V2000
    1.4335   -0.4901    0.4656 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    3.4332   -0.0462    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1836    1.3311    0.9169 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6871    0.9072    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6244   -0.2526   -0.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1547   -0.6846   -1.0598 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8660    0.6634   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0945    1.2450   -0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3864    0.9396   -0.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6912   -0.0282   -1.4648 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3394    0.1019   -1.5688 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7137    1.3272   -0.5121 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4887    1.6851   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2420    2.6402    0.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0960    3.3443    1.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7679    3.4504    1.9261 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4905    4.3864    3.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3662    4.8779    4.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4070    4.5960    4.1649 Pd  0  0  0  0  0  0  0  0  0  0  0  0
   13.6851    5.5297    5.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6095    6.3349    6.9424 Pd  0  0  0  0  0  0  0  0  0  0  0  0
   11.9930    5.4986    4.9950 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1570    4.6309    3.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3516    4.0220    2.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0226    3.8513    2.4009 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    4.5570    3.5085 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    9.9621    2.9675    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8620    2.2862    0.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5414    2.4115    1.0752 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6040    3.7370    2.2661 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    6.9682    1.3917    0.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612   -0.8353   -0.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9163   -2.6540   -1.3072 Pd  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 32  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  2  0  0  0  0
  8  9  1  0  0  0  0
  8 28  2  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  2  0  0  0  0
 15 16  1  0  0  0  0
 15 24  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 135👍, 0💬