Molecule FYI-1007490

A

Molecule Summary:

ID: FYI-1007490
Names:
InChIKey: GQDKQZAEQBGVBS-UHFFFAOYSA-N
SMILES: c1ccc5c(c1)c2ccccc2c6c3ccccc3c4ccccc4c56

Received at FYIcenter.com on: 2024-02-25

Molecule ID: FYI-1007490 Edit

Molecule Structure InChIKey: GQDKQZAEQBGVBS-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc5c(c1)c2ccccc2c6c3ccccc3c4ccccc4c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1007490
FYIcenter.com

 26 31  0  0  0  0  0  0  0  0999 V2000
    1.2031    4.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2031    2.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    4.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    2.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6094    4.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    6.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6094    2.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417    4.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417    2.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0157    2.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2031    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2031    7.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0157    4.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2189    2.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2189    4.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417    6.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0157    7.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2189    6.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2189    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  3  8  1  0  0  0  0
  9  3  2  0  0  0  0
  4 17  1  0  0  0  0
  7  5  1  0  0  0  0
 10  6  1  0  0  0  0
  6 13  2  0  0  0  0
 16  7  2  0  0  0  0
 10  8  2  0  0  0  0
  8 11  1  0  0  0  0
 18  9  1  0  0  0  0
 12 10  1  0  0  0  0
 19 11  2  0  0  0  0
 11 22  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 13 16  1  0  0  0  0
 19 14  1  0  0  0  0
 14 20  1  0  0  0  0
 26 15  2  0  0  0  0
 17 18  2  0  0  0  0
 21 19  1  0  0  0  0
 20 25  2  0  0  0  0
 24 21  2  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007490-3D
FYIcenter.com

 42 47  0     0  0  0  0  0  0999 V2000
    0.0000    0.7034   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2487    1.3680   -0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2486    1.3681    0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2487   -1.3680    0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2488   -1.3681   -0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4848    0.6819   -0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4848    0.6819    0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4848   -0.6819    0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4848   -0.6818   -0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    2.6990   -0.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2989    2.6991    0.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.6991    0.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -2.6990   -0.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6814    1.3981   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6813    1.3980    0.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813   -1.3981    0.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6814   -1.3980   -0.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4849    3.3716   -1.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4849    3.3717    1.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4850   -3.3717    1.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4850   -3.3716   -1.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6853    2.7219   -0.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6852    2.7217    0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6854   -2.7220    0.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6853   -2.7218   -0.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3836    3.2414   -1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3835    3.2417    1.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3837   -3.2416    1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3837   -3.2416   -1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6576    0.9271   -0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6575    0.9269    0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6575   -0.9271    0.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6575   -0.9269   -0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4584    4.3903   -1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4584    4.3904    1.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4584   -4.3905    1.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4585   -4.3904   -1.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6221    3.2237   -1.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6220    3.2233    1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222   -3.2236    1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6221   -3.2235   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  4 12  2  0  0  0  0
  5  9  1  0  0  0  0
  5 13  2  0  0  0  0
  6 10  1  0  0  0  0
  6 14  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  2  0  0  0  0
  8 10  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 18  2  0  0  0  0
 11 19  1  0  0  0  0
 11 27  1  0  0  0  0
 12 20  1  0  0  0  0
 12 28  1  0  0  0  0
 13 21  1  0  0  0  0
 13 29  1  0  0  0  0
 14 22  1  0  0  0  0
 14 30  1  0  0  0  0
 15 23  1  0  0  0  0
 15 31  1  0  0  0  0
 16 24  1  0  0  0  0
 16 32  1  0  0  0  0
 17 25  1  0  0  0  0
 17 33  1  0  0  0  0
 18 26  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  2  0  0  0  0
 19 35  1  0  0  0  0
 20 24  2  0  0  0  0
 20 36  1  0  0  0  0
 21 25  2  0  0  0  0
 21 37  1  0  0  0  0
 22 26  2  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 1584👍, 0💬