Molecule FYI-1004712

A

Molecule Summary:

ID: FYI-1004712
Names:
InChIKey: DMDCTXDRCWMWIF-UHFFFAOYSA-N
SMILES: Cc4ccc([Sn](c1ccccc1)(c2ccccc2)c3ccccc3)cc4

Received at FYIcenter.com on: 2023-09-22

Molecule ID: FYI-1004712 Edit

Molecule Structure InChIKey: DMDCTXDRCWMWIF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc([Sn](c1ccccc1)(c2ccccc2)c3ccccc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004712
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.0610    2.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807    1.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4169    2.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6530    1.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4169    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807    4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9446    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7084    4.2821    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.7084    5.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9446    6.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9446    7.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7084    8.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723    7.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723    6.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7084    2.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6549    2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723    0.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7084    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9446    0.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305    1.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362    4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362    1.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1219    2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21  8  1  0  0  0  0
 22 21  2  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
 26 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004712-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    2.4902   -0.0440    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9898   -0.0146    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2947    1.0346   -0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1041    1.0453   -0.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8192    0.0091   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9420    0.0233   -0.0629 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5785   -1.0405   -1.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3924   -2.1708   -1.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8147   -2.8685   -2.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4260   -2.4360   -4.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6127   -1.3061   -4.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1875   -0.6091   -3.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8053   -0.8626    1.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6487   -0.1036    2.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2395   -0.6825    3.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9915   -2.0231    3.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1500   -2.7841    3.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5560   -2.2045    1.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6684    2.0116   -0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4569    2.4225   -1.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9595    3.7267   -1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6742    4.6207   -0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8832    4.2116    0.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3794    2.9079    0.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1308   -1.0369    0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2680   -1.0489    0.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9202    0.8339   -0.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8492   -0.9659   -0.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567   -0.0383    1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8330    1.8410   -1.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6315    1.8548   -1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6990   -2.5096   -0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4437   -3.7428   -2.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7552   -2.9756   -4.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3133   -0.9709   -5.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5593    0.2657   -3.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8533    0.9318    2.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8922   -0.0925    4.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4534   -2.4716    4.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9618   -3.8231    3.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9124   -2.8000    1.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6880    1.7336   -2.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5734    4.0424   -2.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0680    5.6286   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6652    4.9023    1.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7733    2.5920    1.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6751   -1.8419    1.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890   -1.8650    1.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  2  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 3433👍, 0💬