Molecule FYI-1006022

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A

Molecule Summary:

ID: FYI-1006022
Names:
InChIKey: JURKNVYFZMSNLP-UHFFFAOYSA-N
SMILES: CN(C)CCC=c2c1ccccc1ccc3ccccc23

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006022 Edit

Molecule Structure InChIKey: JURKNVYFZMSNLP-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCC=c2c1ccccc1ccc3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006022
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.5830    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    4.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    2.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1582    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9458    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7333    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6757    6.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3116    6.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148    3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9107    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2748    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9633    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254    2.7299    0.0000 C   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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  2  0  0  0  0
 13  8  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  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 21  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006022-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
   -2.9706   -2.1775    0.5901 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1776   -0.1813   -0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583   -0.6630   -0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2189    1.2320   -0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2013   -0.7192   -1.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7721   -1.0785   -0.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1334   -1.8627   -0.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2286   -0.4014    0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0618    1.9091    0.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6150    0.2973    1.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6971    1.2760    1.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2251   -1.3659   -1.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8575    1.9209   -1.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5374   -0.8873    0.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417    3.2496    0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5281   -1.8266   -1.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2361    3.2543   -1.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1829   -1.5905   -0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9816    3.9177   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8326   -3.2976    0.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2660   -1.0055    1.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3223   -0.5769   -2.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5456    0.2018   -0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5016   -2.1243   -1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1696   -1.5845   -1.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8970   -2.7466   -1.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840   -0.0128    2.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3921    1.6841    2.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7355   -1.5585   -2.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386    1.4421   -2.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0738   -0.7174    1.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554    3.7933    1.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291   -2.3694   -2.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7235    3.7747   -2.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1963   -1.9517    0.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2779    4.9556   -0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5944   -4.1861    0.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8954   -3.0660    0.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6686   -3.5715    2.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2391   -0.5605    1.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4917   -0.2369    1.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817   -1.2842    2.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  8  1  0  0  0  0
  3 12  2  0  0  0  0
  4  9  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  1  0  0  0  0
 12 29  1  0  0  0  0
 13 17  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  1  0  0  0  0
 14 31  1  0  0  0  0
 15 19  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
$$$$

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2023-12-01, 1698👍, 0💬