Molecule FYI-1011663

A

Molecule Summary:

ID: FYI-1011663
Names:
InChIKey: OMQQHOOVZKMQNO-UHFFFAOYSA-N
SMILES: O=c4cc(c1ccc(F)cc1)c3ccc(COc2cc(F)cc(C(O)(C(F)(F)F)C(F)(F)F)c2)cc3o4

Received at FYIcenter.com on: 2024-08-10

Molecule ID: FYI-1011663 Edit

Molecule Structure InChIKey: OMQQHOOVZKMQNO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c4cc(c1ccc(F)cc1)c3ccc(COc2cc(F)cc(C(O)(C(F)(F)F)C(F)(F)F)c2)cc3o4

Download SDF Download SVG Structure in 2D SDF:

FYI-1011663
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
   16.9630    6.2959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7514    5.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5397    6.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5397    7.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3281    8.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3281    9.7936    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1165    7.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1165    6.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9049    5.5963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6931    6.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4815    5.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2699    6.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0582    5.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0582    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8466    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8466    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0582    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0582    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2699    2.0986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2699    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4815    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    5.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    6.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    5.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3281    5.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9630    4.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6626    6.1084    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.1747    4.1973    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.2974    3.6457    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7514    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1676    4.1332    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7514    2.7982    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.3524    4.1973    0.0000 F   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  1  0  0  0  0
  7  5  2  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 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  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 17  1  0  0  0  0
 20 19  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 21 11  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  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 25  1  0  0  0  0
 28 27  2  0  0  0  0
 28 22  1  0  0  0  0
 29  8  2  0  0  0  0
 29  3  1  0  0  0  0
 30  2  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33 30  1  0  0  0  0
 34  2  1  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011663-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
    7.3796    0.6128   -0.7980 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    2.2946   -0.3616 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6234    1.7355    1.0481 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1015   -1.6297    0.7963 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6305   -1.5755    2.4014 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3826   -0.2914    2.4966 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4814   -2.2614   -3.0728 F   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5735   -2.5068    1.3201 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0867    1.1091    1.9193 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306   -0.2611   -0.4708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2189    2.6703   -0.6064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7550    4.3253   -0.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6991    0.2963    0.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6728   -0.2509   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7029    1.2393    0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4597   -0.8069    1.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3200    0.0020    0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0655   -1.0155   -1.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3595   -0.5095   -0.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8975    0.3429   -0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2755   -0.4100   -1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1108   -0.8156   -1.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240    1.2942   -0.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2524    0.7905    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1052   -1.5271   -2.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6201    0.9373   -0.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7523   -1.2741   -1.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5342   -1.0091   -0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309   -1.3819   -0.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3809   -0.0707    0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5017    2.1103    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4848    3.1294   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6009   -0.4422    1.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2395   -0.5223   -0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6791   -1.2654    2.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3179   -1.3456   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5376   -1.7172    1.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9757    0.5930    1.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1082   -1.2380   -1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1847   -1.9106   -1.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3008   -0.4379   -2.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8877    1.7062   -1.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0636   -1.7046   -2.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7059    0.5130    2.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2516   -1.7946   -0.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9791   -2.4388   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4841    2.5005    0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9403   -0.0995    2.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0816   -0.2428   -1.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8507   -1.5549    3.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9865   -1.6976   -1.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  1  0  0  0  0
  7 25  1  0  0  0  0
  8 37  1  0  0  0  0
  9 13  1  0  0  0  0
  9 44  1  0  0  0  0
 10 19  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 32  1  0  0  0  0
 12 32  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 25  2  0  0  0  0
 18 39  1  0  0  0  0
 19 27  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 21 29  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 26  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  2  0  0  0  0
 25 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 29  2  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 31 47  1  0  0  0  0
 33 35  1  0  0  0  0
 33 48  1  0  0  0  0
 34 36  2  0  0  0  0
 34 49  1  0  0  0  0
 35 37  2  0  0  0  0
 35 50  1  0  0  0  0
 36 37  1  0  0  0  0
 36 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1147👍, 0💬