Molecule FYI-1015605

A

Molecule Summary:

ID: FYI-1015605
Names:
InChIKey: NXIXBHMKUKUWCV-UHFFFAOYSA-N
SMILES: C/C(C)=C/CCC3=CCC(C(=O)CCc1ccccc1)C(CCc2ccccc2)C3

Received at FYIcenter.com on: 2025-09-12

Molecule ID: FYI-1015605 Edit

Molecule Structure InChIKey: NXIXBHMKUKUWCV-UHFFFAOYSA-N

Molecule Structure SMILES String: C/C(C)=C/CCC3=CCC(C(=O)CCc1ccccc1)C(CCc2ccccc2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015605
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  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  1  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 18  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015605-3D
FYIcenter.com

 66 68  0     1  0  0  0  0  0999 V2000
   -1.5476    0.1506   -1.8298 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075    0.0876   -0.3265 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3207    1.0864   -0.0176 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1070    0.5074    0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0732    2.5121   -0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4425   -1.3454    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    1.9806    0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4857    2.8740   -0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5834    0.7295   -0.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2962   -2.3585   -0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8054    2.3928    0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8819    1.1225   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7449    2.3382   -0.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9520   -3.7704   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1114    0.7579   -0.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1079    2.8585   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226   -4.3780    0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0372   -4.4694   -0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3889    1.1629   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1772    2.1511    0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040   -5.6847    1.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3558   -5.7759   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0285    0.2733    0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9319    2.4276   -0.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3148   -6.3837    0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5173    2.7350    0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0971    0.6534    0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2112    0.6484    1.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1144    2.8029    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7542    1.9132    1.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9955    0.1143   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5218    1.0564    1.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440   -0.0548   -0.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0575    0.2415    1.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5998    3.2253    0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0624    2.6566   -1.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -1.5616   -0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5521   -1.4797    1.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7490    3.9262   -0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3640   -2.1906   -0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1561   -2.2438   -1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756    1.7557    1.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7904    3.4126    1.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8596    2.2030    0.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9190    0.6140    0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7952    1.3281   -0.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3551    2.9667   -1.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1278   -0.3215   -1.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0584    1.2361   -1.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2157    3.9400   -0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3937   -3.8428    1.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5681   -4.0059   -1.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8257   -6.1577    1.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1265   -6.3201   -1.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6140   -0.7141    0.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4418    3.1301   -1.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0664   -7.4010    0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7686    2.5217    1.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    3.8220    0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2960    2.3114   -0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6838    0.1767   -0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5139    0.3424    1.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0835    0.2486    0.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7090   -0.0441    1.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5371    3.7879    0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6749    2.2055    1.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 31  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 32  1  0  0  0  0
  4  7  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  8  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6 10  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 39  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 13  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 15  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 16  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 20  2  0  0  0  0
 16 50  1  0  0  0  0
 17 21  1  0  0  0  0
 17 51  1  0  0  0  0
 18 22  2  0  0  0  0
 18 52  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 25  2  0  0  0  0
 21 53  1  0  0  0  0
 22 25  1  0  0  0  0
 22 54  1  0  0  0  0
 23 28  1  0  0  0  0
 23 55  1  0  0  0  0
 24 29  2  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 30  2  0  0  0  0
 28 64  1  0  0  0  0
 29 30  1  0  0  0  0
 29 65  1  0  0  0  0
 30 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 505👍, 0💬