Molecule FYI-1004717

A

Molecule Summary:

ID: FYI-1004717
Names:
InChIKey: WTEMJPCUZBDMHF-UHFFFAOYSA-N
SMILES: c5ccc([Sn](c1ccccc1)(c2ccccc2)c3cccc4ccccc34)cc5

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

Molecule ID: FYI-1004717 Edit

Molecule Structure InChIKey: WTEMJPCUZBDMHF-UHFFFAOYSA-N

Molecule Structure SMILES String: c5ccc([Sn](c1ccccc1)(c2ccccc2)c3cccc4ccccc34)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004717
FYIcenter.com

 29 33  0  0  0  0  0  0  0  0999 V2000
    5.0491    2.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3993    2.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3993    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6325    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6325    5.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3993    6.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    5.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9329    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6997    4.2721    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.6997    5.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9329    6.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9329    7.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6997    8.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4664    7.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4664    6.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6997    2.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6485    2.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4664    0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6997    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9329    0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7193    1.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4664    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2332    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2332    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169    2.0884    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  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
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  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
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  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
 23 18  1  0  0  0  0
 24 11  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004717-3D
FYIcenter.com

 51 55  0  0  0  0  0  0  0  0999 V2000
    1.2651   -0.2420    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4278   -1.3607    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9499   -1.1993   -0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4956    0.0836   -0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5949    0.3540   -0.5915 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3022    1.5728    1.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4338    2.0062    2.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9126    2.8182    3.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2564    3.1984    3.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1251    2.7654    2.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6496    1.9544    1.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8727    1.5866   -2.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7641    2.0701   -2.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9462    2.9419   -4.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2369    3.3234   -4.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3454    2.8351   -3.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1628    1.9710   -2.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7391   -1.4723   -0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821   -2.0125    0.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3177   -3.1112    1.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2492   -3.6916    0.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4181   -3.2101   -0.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3654   -3.8245   -1.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5308   -3.3982   -2.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7514   -2.3504   -3.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8240   -1.6897   -2.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6425   -2.1031   -1.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6527    1.2033   -0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235    1.0404   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3308   -0.3695    0.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8479   -2.3534    0.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5895   -2.0690   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912    1.7229    2.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422    3.1560    3.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6264    3.8289    3.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1669    3.0607    2.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3291    1.6275    0.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7620    1.7926   -2.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0868    3.3268   -4.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3775    4.0011   -5.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3440    3.1329   -4.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0210    1.6063   -2.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8914   -1.5577    1.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1795   -3.4978    2.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8335   -4.5293    0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9759   -4.6424   -1.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2607   -3.8929   -3.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8800   -2.0517   -4.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2421   -0.8838   -3.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0649    2.2007   -0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717    1.9072    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  2  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  2  0  0  0  0
 19 20  2  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  2  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 2540👍, 0💬