Molecule FYI-1014432

A

Molecule Summary:

ID: FYI-1014432
Names:
InChIKey: NAJCKHRNLXVXFB-UHFFFAOYSA-N
SMILES: Cc4cc(C)c(C(=O)OP(=O)(c1ccccc1)C(O)(C(=O)c2c(C)cc(C)cc2C)c3c(C)cc(C)cc3C)c(C)c4

Received at FYIcenter.com on: 2025-04-16

Molecule ID: FYI-1014432 Edit

Molecule Structure InChIKey: NAJCKHRNLXVXFB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(C)c(C(=O)OP(=O)(c1ccccc1)C(O)(C(=O)c2c(C)cc(C)cc2C)c3c(C)cc(C)cc3C)c(C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014432
FYIcenter.com

 42 45  0  0  0  0  0  0  0  0999 V2000
    7.5682    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5682    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3557    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1433    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1433    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3557    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3557    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.6209    3.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0846    3.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3557    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7796    4.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0395    3.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1408    2.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4007    1.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5593    2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4580    3.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1981    4.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6783    5.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409    4.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    2.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8134    3.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6698    3.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3986    3.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2711    1.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6859    1.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625    0.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4868    5.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932    5.0467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4317    5.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3066    6.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7974    8.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134    8.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0478    5.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1729    4.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    9.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6906    6.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0968    5.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9821    1.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7686    1.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 11 18  2  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 26 27  1  0  0  0  0
 22 28  1  0  0  0  0
 24 29  1  0  0  0  0
 19 30  2  0  0  0  0
 19 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 36 37  1  0  0  0  0
 34 38  1  0  0  0  0
 32 39  1  0  0  0  0
 17 40  1  0  0  0  0
 13 41  1  0  0  0  0
 15 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014432-3D
FYIcenter.com

 81 84  0  0  1  0  0  0  0  0999 V2000
    2.9446    1.1994    0.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9685    0.0709    0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2466   -1.1926    1.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2749   -2.2153    1.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7124   -3.5712    1.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0278   -1.9657    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1620   -2.9255    1.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3278   -3.3915    2.1612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103   -3.2896   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139   -4.4267    0.0167 P   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6466   -3.8904   -1.3781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -5.8081   -0.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5159   -5.8801   -0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3626   -6.7582   -1.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007   -7.6389   -2.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110   -7.5440   -2.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2251   -6.5489   -1.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5929   -5.6296    0.0345 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.5834   -6.6280   -1.0100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4110   -6.5121    1.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5946   -7.4367    1.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0639   -6.4509    2.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8172   -5.3850    3.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2568   -4.1296    2.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3822   -5.4934    4.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2736   -6.6327    5.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0084   -6.7400    6.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5125   -7.6756    4.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8989   -7.6068    3.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1205   -8.8578    3.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0820   -4.9951   -0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4189   -3.6005   -0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5829   -2.4003   -0.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7751   -3.1772   -0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8257   -4.0376   -0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1975   -3.4760    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5491   -5.3935   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2192   -5.8616   -0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1329   -7.3931   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2464   -0.7502   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4904   -0.4029   -0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7464    0.2628    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801    0.8575    1.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5097    1.9528    1.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930    1.6629   -0.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2317   -1.3898    1.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7528   -3.5588    2.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6894   -4.2849    0.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0978   -3.9236    2.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1205   -5.2267    0.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252   -6.7501   -0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5681   -8.3621   -2.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7950   -8.2003   -3.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1690   -6.3726   -2.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0455   -7.3732   -0.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1382   -4.3949    2.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4550   -3.6706    2.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6230   -3.3711    3.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9732   -4.6652    4.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6292   -5.8540    6.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3116   -6.8384    7.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6818   -7.6034    6.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4091   -8.5760    5.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1183   -9.5892    4.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0667   -8.6285    3.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5807   -9.3551    2.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5941   -2.3151   -0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0381   -1.4643   -0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5657   -2.3347   -1.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0126   -2.1197   -0.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1365   -2.4386    0.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7216   -4.0375    0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7708   -3.4925   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3839   -6.0872   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1231   -7.8320   -0.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7481   -7.8479    0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5445   -7.7085   -1.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8924   -1.2645   -1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2535    0.3350   -1.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416    0.0307   -0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5513    1.2338   -0.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  2  3  1  0  0  0  0
  2 42  2  0  0  0  0
  3  4  2  0  0  0  0
  3 46  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  5 49  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 18  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 50  1  0  0  0  0
 14 15  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  2  0  0  0  0
 15 52  1  0  0  0  0
 16 17  1  0  0  0  0
 16 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 26  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 29  1  0  0  0  0
 28 63  1  0  0  0  0
 29 30  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
 30 66  1  0  0  0  0
 31 32  1  0  0  0  0
 31 38  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
 33 69  1  0  0  0  0
 34 35  1  0  0  0  0
 34 70  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
 36 73  1  0  0  0  0
 37 38  1  0  0  0  0
 37 74  1  0  0  0  0
 38 39  1  0  0  0  0
 39 75  1  0  0  0  0
 39 76  1  0  0  0  0
 39 77  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 78  1  0  0  0  0
 41 79  1  0  0  0  0
 41 80  1  0  0  0  0
 42 81  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1372👍, 0💬