Molecule FYI-1003931

A

Molecule Summary:

ID: FYI-1003931
Names:
InChIKey: WCFTXESGSPTRGQ-PGGSIGJZSA-M
SMILES: CCCC[Sn]2(CCCC)(CCCC)Oc1ccc(Br)cc1C=[N+]2Nc3ccccc3

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

Molecule ID: FYI-1003931 Edit

Molecule Structure InChIKey: WCFTXESGSPTRGQ-PGGSIGJZSA-M

Molecule Structure SMILES String: CCCC[Sn]2(CCCC)(CCCC)Oc1ccc(Br)cc1C=[N+]2Nc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003931
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    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  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  5  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  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
 30 20  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003931-3D
FYIcenter.com

 67 69  0  0  0  0  0  0  0  0999 V2000
    2.2348    2.7293   -0.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5033    2.2113    0.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3267    1.2347    1.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5378    1.8453    2.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3774    1.2679    3.3930 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    5.4381   -0.3655    4.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -1.0775    5.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5633   -1.8886    4.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2950   -2.6232    4.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6768    3.0967    4.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5615    2.9014    5.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637    4.2660    5.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450    4.1228    6.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1253    1.2471    4.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7342    2.3437    3.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    3.1688    4.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8230    4.4221    4.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6702    4.8548    2.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1677    6.6427    2.4260 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.1161    4.0054    1.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6330    2.7356    2.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    1.8519    1.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.0446    1.4815 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3585    0.0837    0.6845 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2909   -0.0069   -0.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5820    1.0613   -1.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4239    0.8891   -3.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791   -0.3182   -3.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6623   -1.3750   -2.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8094   -1.2212   -1.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    3.2903   -1.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6301    1.8844   -1.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0636    3.4174   -0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6274    1.6373    0.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1217    3.0704    1.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6557    0.4151    0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6366    0.8125    2.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0631    2.4107    1.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.8296    2.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8037    0.0773    5.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1889   -1.1190    4.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -0.3362    5.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3481   -1.7879    6.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3145   -2.6336    3.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148   -1.2233    3.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5169   -3.3331    5.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8884   -3.1943    3.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5275   -1.8966    4.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4193    3.8433    3.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5483    3.5215    4.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9124    2.2297    6.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6865    2.4371    4.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8219    4.9257    5.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421    4.7437    6.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1589    3.6549    6.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635    5.1263    7.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3831    3.4920    7.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4438    2.8611    5.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2502    5.0746    4.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9950    4.3688    0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3606    1.8967    0.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8650   -0.6686    1.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8858    2.0233   -1.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6447    1.7058   -3.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492   -0.4404   -4.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2968   -2.3162   -3.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5558   -2.0491   -0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  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
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  1  0  0  0  0
 11 51  1  0  0  0  0
 11 52  1  0  0  0  0
 12 13  1  0  0  0  0
 12 53  1  0  0  0  0
 12 54  1  0  0  0  0
 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 13 57  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  2  0  0  0  0
 16 58  1  0  0  0  0
 17 18  1  0  0  0  0
 17 59  1  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 60  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 61  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 62  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 26 63  1  0  0  0  0
 27 28  1  0  0  0  0
 27 64  1  0  0  0  0
 28 29  2  0  0  0  0
 28 65  1  0  0  0  0
 29 30  1  0  0  0  0
 29 66  1  0  0  0  0
 30 67  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1961👍, 0💬