Molecule FYI-1014445

A

Molecule Summary:

ID: FYI-1014445
Names:
InChIKey: YVVMILXDYBDMTN-UHFFFAOYSA-N
SMILES: Cc3cc(C)c(CP(=O)(c1ccccc1)c2c(C)cc(C)cc2C)c(C)c3

Received at FYIcenter.com on: 2025-04-17

Molecule ID: FYI-1014445 Edit

Molecule Structure InChIKey: YVVMILXDYBDMTN-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(C)c(CP(=O)(c1ccccc1)c2c(C)cc(C)cc2C)c(C)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014445
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.4191    5.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5534    6.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137    7.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1397    6.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0054    5.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451    4.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8274    6.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0109    3.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1712    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1712    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9588    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9588    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9588    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.9588    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3588    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167    5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7398    4.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7977    5.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5325    6.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2094    7.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1515    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8284    6.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0050    3.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    7.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 22 27  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014445-3D
FYIcenter.com

 56 58  0     1  0  0  0  0  0999 V2000
    0.3862    0.1461   -0.4427 P   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1255    0.7395   -1.7387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6363    0.8360    0.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0947    0.5415   -0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0919    0.9016    0.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2185   -1.6241   -0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5337    0.7796    1.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9946    0.6130   -1.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9755   -0.0345    1.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5660    1.8998   -0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8725    1.0895    1.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3334    0.9230   -0.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7725    1.1612    0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0598   -2.3621    0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7535   -2.2732   -1.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3330    0.0276    0.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9236    1.9617   -0.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5877    0.7082    2.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5463    0.3616   -2.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8072    1.0257   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4935   -1.1130    1.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6405    2.9143   -0.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9290   -3.7490    0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8846   -3.6601   -1.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2039    1.4926    0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2586    1.0915   -0.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432   -4.3979   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2206    1.2808    2.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    0.9835   -1.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8348   -1.8991    1.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4153   -1.7071   -1.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5856   -4.3242    1.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5242    1.1298    1.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1450   -5.4777   -0.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  3  5  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  2  0  0  0  0
  8 19  1  0  0  0  0
  9 16  1  0  0  0  0
  9 21  1  0  0  0  0
 10 17  2  0  0  0  0
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 11 13  2  0  0  0  0
 11 30  1  0  0  0  0
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 13 25  1  0  0  0  0
 14 23  1  0  0  0  0
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 15 33  1  0  0  0  0
 16 20  2  0  0  0  0
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 18 38  1  0  0  0  0
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 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 26  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
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 22 47  1  0  0  0  0
 23 27  2  0  0  0  0
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 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
M  END
$$$$

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2025-04-26, 536👍, 0💬