Molecule FYI-1003869

A

Molecule Summary:

ID: FYI-1003869
Names:
InChIKey: RUKGGWBLLMHAQE-AATRIKPKSA-N
SMILES: CC3=CC=CC(Cc2cccc(C/C=C/Cc1ccccc1)c2)=CC3

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003869 Edit

Molecule Structure InChIKey: RUKGGWBLLMHAQE-AATRIKPKSA-N

Molecule Structure SMILES String: CC3=CC=CC(Cc2cccc(C/C=C/Cc1ccccc1)c2)=CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003869
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.8170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6972    2.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3858    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8631    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5515    2.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  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 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 12  2  0  0  0  0
 23  8  1  0  0  0  0
 24  6  2  0  0  0  0
 25 24  1  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003869-3D
FYIcenter.com

 51 53  0  0  0  0  0  0  0  0999 V2000
    2.5326    0.1283   -4.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552   -0.0653   -2.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    0.2906   -1.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4360    0.3062   -0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6257   -0.1543   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6456   -0.8515   -0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8003   -1.4322   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9726   -0.4834    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0460    0.4011    1.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0534    1.3635    1.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0338    1.4163    0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0467    0.4694   -0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.4145   -1.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9596    1.2024   -2.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7708    2.1724   -3.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5003    2.9173   -4.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3164    4.3985   -4.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1466    5.3151   -5.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9634    6.6862   -4.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9499    7.1544   -4.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1145    6.2524   -3.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2926    4.8809   -3.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9865   -0.4467   -0.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6489   -1.0291   -2.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137   -0.6369   -3.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5563    0.5827   -4.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601   -0.8306   -4.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0633    0.7904   -4.9147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8101    0.6787   -1.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8157    0.7883    0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8666    0.0158    0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1569   -2.3608   -0.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4533   -1.7462    0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3070    0.3548    1.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0755    2.0722    2.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8008    2.1858    0.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3734   -0.6327   -2.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1154    0.7390   -1.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0738    0.9396   -3.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6651    2.4464   -2.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042    2.5316   -5.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3374    2.7327   -5.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9388    4.9648   -5.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6106    7.3891   -5.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8090    8.2225   -4.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3216    6.6154   -2.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6291    4.1868   -3.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9590   -1.1458   -1.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5060   -1.5701   -2.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5533   -1.5469   -3.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2512    0.0664   -3.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  2  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  2  0  0  0  0
  9 10  2  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  2  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1916👍, 0💬