Molecule FYI-1014433

A

Molecule Summary:

ID: FYI-1014433
Names:
InChIKey: MACUYCKVTLSZBV-UHFFFAOYSA-N
SMILES: Cc4cc(C)c(C(=O)C(P(=O)(O)c1ccccc1)P(=O)(C(=O)c2c(C)cc(C)cc2C)c3ccccc3)c(C)c4

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

Molecule ID: FYI-1014433 Edit

Molecule Structure InChIKey: MACUYCKVTLSZBV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(C)c(C(=O)C(P(=O)(O)c1ccccc1)P(=O)(C(=O)c2c(C)cc(C)cc2C)c3ccccc3)c(C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014433
FYIcenter.com

 40 43  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.7000    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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.3459    3.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8266    3.5416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    6.3001    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    7.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    6.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    5.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1394    2.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    7.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    5.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    7.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4867    8.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    8.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6757    7.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4722    8.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8735    9.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4781   10.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6816    8.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2803    7.6798    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  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 24 31  2  0  0  0  0
 26 32  1  0  0  0  0
 28 33  1  0  0  0  0
 30 34  1  0  0  0  0
 11 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 35 40  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014433-3D
FYIcenter.com

 74 77  0  0  1  0  0  0  0  0999 V2000
    2.6484    1.6470   -1.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5309    0.7404   -1.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3541    1.2517   -0.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7026    0.4157   -0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9498    1.1696   -0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5840   -1.0211   -0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8057   -1.8921   -0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7864   -1.3725   -1.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8910   -3.3877   -0.0007 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9030   -3.8260    1.4760 P   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8743   -2.3321    1.8301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2221   -4.4344    2.2517 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0849   -4.2643    2.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9056   -3.3417    3.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5302   -3.6748    4.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655   -4.9446    5.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6016   -5.8925    4.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0200   -5.5605    3.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6877   -3.9052   -0.0337 P   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5025   -5.3614    0.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3527   -2.6499    1.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6107   -1.5371    0.6862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7457   -2.8562    2.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5365   -1.8554    3.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569   -0.4171    3.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7648   -2.2220    4.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2091   -3.4940    5.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3927   -3.9264    6.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5588   -4.3820    4.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3721   -4.0582    2.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9499   -5.0145    1.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8547   -3.7929   -1.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9873   -4.6465   -1.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0013   -4.4976   -2.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8975   -3.5090   -3.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7912   -2.6760   -3.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7944   -2.8287   -2.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5879   -1.5228   -1.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8190   -2.9503   -1.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6355   -0.6419   -1.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883    2.6979   -1.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8633    1.5239   -2.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5422    1.4215   -1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2502    2.3390   -0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6670    2.1366    0.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344    0.6426    0.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5692    1.4143   -0.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5227   -4.0412   -0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6578   -5.2164    1.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0201   -2.3292    3.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1176   -2.9277    5.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200   -5.1893    6.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610   -6.8807    5.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6464   -6.3053    3.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9067   -0.1444    2.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2988   -0.1429    3.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0015    0.2283    3.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5704   -1.4887    5.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8867   -3.2557    7.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9638   -4.9270    6.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4595   -3.9655    6.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9935   -5.3456    4.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6319   -5.7414    2.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1830   -5.6296    1.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5161   -4.4585    1.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1224   -5.4441   -0.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8766   -5.1446   -2.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6658   -3.3804   -4.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6919   -1.8770   -4.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9869   -2.1216   -2.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0865   -3.5116   -1.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4402   -3.4478   -0.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312   -2.9943   -2.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5413   -1.0395   -2.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  2 40  2  0  0  0  0
  3  4  2  0  0  0  0
  3 44  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  5 47  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  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
  9 19  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 49  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  2  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 30  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 29 62  1  0  0  0  0
 30 31  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  2  0  0  0  0
 33 34  2  0  0  0  0
 33 66  1  0  0  0  0
 34 35  1  0  0  0  0
 34 67  1  0  0  0  0
 35 36  2  0  0  0  0
 35 68  1  0  0  0  0
 36 37  1  0  0  0  0
 36 69  1  0  0  0  0
 37 70  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 71  1  0  0  0  0
 39 72  1  0  0  0  0
 39 73  1  0  0  0  0
 40 74  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 201👍, 0💬