Molecule FYI-1003930

A

Molecule Summary:

ID: FYI-1003930
Names:
InChIKey: GCWMYKJSUZWJFU-PGGSIGJZSA-M
SMILES: Brc6ccc5O[Sn](c1ccccc1)(c2ccccc2)(c3ccccc3)[N+](Nc4ccccc4)=Cc5c6

Received at FYIcenter.com on: 2023-08-05

Molecule ID: FYI-1003930 Edit

Molecule Structure InChIKey: GCWMYKJSUZWJFU-PGGSIGJZSA-M

Molecule Structure SMILES String: Brc6ccc5O[Sn](c1ccccc1)(c2ccccc2)(c3ccccc3)[N+](Nc4ccccc4)=Cc5c6

Download SDF Download SVG Structure in 2D SDF:

FYI-1003930
FYIcenter.com

 36 41  0  0  0  0  0  0  0  0999 V2000
    7.3880    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.3880    1.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6194    2.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6194    3.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3880    4.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3880    5.6873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1567    6.3982    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    7.3880    7.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6194    6.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8507    7.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8507    8.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6194    9.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4105    8.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1567    7.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2919    8.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3880    9.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1567   10.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9254    9.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792    8.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9254    7.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632    8.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6941    9.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4627    8.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4627    7.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8924    6.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1567    3.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9254    4.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9254    5.6873    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6171    6.2339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4627    5.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2314    6.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2314    3.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4627    4.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1567    2.1328    0.0000 C   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  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  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
 20  7  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26  5  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28  7  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 30  1  0  0  0  0
 36 26  2  0  0  0  0
 36  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003930-3D
FYIcenter.com

 61 66  0  0  0  0  0  0  0  0999 V2000
    1.1863    0.3644   -1.1021 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0735    0.2224   -0.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7483    1.3408   -0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0953    1.2555   -0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7360    0.0451   -0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9591    0.0457    0.0687 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6301   -1.5134    0.8620 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -1.2357   -0.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2425   -1.8615   -1.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9391   -1.7395   -2.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4008   -0.9970   -3.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1768   -0.3907   -3.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4881   -0.5102   -2.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7220   -0.1089    2.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9912    0.9841    2.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    1.9173    3.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9180    1.7770    3.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6621    0.6983    3.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0655   -0.2465    2.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592   -1.8655    2.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4516   -3.2148    2.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2183   -3.6206    2.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3431   -2.6729    3.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7015   -1.3276    3.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -0.9160    2.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0475   -2.7379   -0.5917 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.7090   -3.9766   -0.5395 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0902   -5.2656   -0.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2742   -5.6477   -1.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6983   -6.9214   -1.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9282   -7.8364   -0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7557   -7.4899    0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3444   -6.2164    0.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8845   -2.4553   -1.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1244   -1.1188   -0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7520   -0.9921   -1.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2570    2.2801   -0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6471    2.0992    0.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6749   -2.4779   -0.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8883   -2.2331   -2.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9252   -0.9145   -4.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7394    0.1620   -4.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5266   -0.0329   -2.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9524    1.1173    2.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9890    2.7414    3.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3724    2.5008    4.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6979    0.5941    3.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6359   -1.0886    2.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628   -3.9779    1.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9194   -4.6628    2.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3781   -2.9884    3.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9879   -0.6010    3.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1045    0.1425    2.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5305   -3.9956    0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1054   -4.9818   -2.4976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0737   -7.1998   -2.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4754   -8.8189   -0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9379   -8.2018    1.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9807   -5.9713    1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3752   -3.1742   -1.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2006   -1.8419   -1.5342 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 36  2  0  0  0  0
  3  4  2  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 20  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  2  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  2  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  2  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 34  2  0  0  0  0
 27 28  1  0  0  0  0
 27 54  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  2  0  0  0  0
 29 30  2  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 31 32  2  0  0  0  0
 31 57  1  0  0  0  0
 32 33  1  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
 34 35  1  0  0  0  0
 34 60  1  0  0  0  0
 35 36  1  0  0  0  0
 36 61  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1692👍, 0💬