Molecule FYI-1003459

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A

Molecule Summary:

ID: FYI-1003459
Names:
InChIKey: AZFQCTBZOPUVOW-UHFFFAOYSA-N
SMILES: C[P+](c1ccccc1)(c2ccccc2)c3ccccc3

Received at FYIcenter.com on: 2023-06-20

Molecule ID: FYI-1003459 Edit

Molecule Structure InChIKey: AZFQCTBZOPUVOW-UHFFFAOYSA-N

Molecule Structure SMILES String: C[P+](c1ccccc1)(c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003459
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.9088    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    4.2512    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    3.6816    5.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    6.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    7.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    8.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    7.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    6.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    2.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6357    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    4.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    2.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  8  3  1  0  0  0  0
  9  2  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  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003459-3D
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
   -0.0080    0.0099    0.7620 P   0  3  0  0  0  0  0  0  0  0  0  0
   -1.5508    0.6798    0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1886   -1.6800    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3622    1.0060    0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005    0.0218    2.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1390    0.2192   -0.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7264   -2.6362    0.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2623    1.7238   -0.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1814    1.6695    0.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552   -2.0259   -0.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5179    1.0556    0.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3578    0.7485   -1.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -3.9618    0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3372    2.5051   -1.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4004    2.1987    0.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095   -3.3515   -0.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5928    1.8370    0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9885    1.7382   -0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958   -4.3194   -0.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5024    2.5617   -0.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8451   -0.5571    2.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    1.0417    2.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9179   -0.4315    2.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6563   -0.5413   -1.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5607   -2.3646    1.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3684    1.6846   -1.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7346    2.0502    1.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9781   -1.2961   -0.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6127    0.4890    1.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8142    0.3922   -2.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2838   -4.7153    0.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2679    3.0674   -2.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8901    2.9716    1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2401   -3.6301   -1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5016    1.8786    1.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9367    2.1515   -0.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6157   -5.3515   -0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3399    3.1689   -0.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  4  8  2  0  0  0  0
  4 11  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7 13  1  0  0  0  0
  7 25  1  0  0  0  0
  8 14  1  0  0  0  0
  8 26  1  0  0  0  0
  9 15  2  0  0  0  0
  9 27  1  0  0  0  0
 10 16  2  0  0  0  0
 10 28  1  0  0  0  0
 11 17  2  0  0  0  0
 11 29  1  0  0  0  0
 12 18  2  0  0  0  0
 12 30  1  0  0  0  0
 13 19  2  0  0  0  0
 13 31  1  0  0  0  0
 14 20  2  0  0  0  0
 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

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2023-07-08, 380👍, 0💬