Molecule FYI-1005183

A

Molecule Summary:

ID: FYI-1005183
Names:
InChIKey: LJSBBBWQTLXQEN-UHFFFAOYSA-N
SMILES: CCCn4c(C)c(C(=O)c1cccc2ccccc12)c3ccccc34

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005183 Edit

Molecule Structure InChIKey: LJSBBBWQTLXQEN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCn4c(C)c(C(=O)c1cccc2ccccc12)c3ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005183
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
   11.9918    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5669    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3545    4.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0756    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8387    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4061    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3428    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7123    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1449    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2082    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    2.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    5.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9999    6.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304    7.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    7.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    5.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7844    5.9941    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  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 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
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 24 15  1  0  0  0  0
 25  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005183-3D
FYIcenter.com

 46 49  0     0  0  0  0  0  0999 V2000
   -0.4079   -2.5849    1.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9389   -0.2047    0.2923 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0373   -1.2003    0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2892    1.0022    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8158   -0.6161    0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9275    0.7584    0.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3697   -0.3918    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7838   -0.6970   -1.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -1.3618    0.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586   -2.6059    0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7977    2.2780   -0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0272    1.8393    0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7179   -0.6759    0.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8858    3.3348   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5107   -0.5154   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5215    3.1212    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2856   -0.9015   -1.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7494    0.1612   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402   -0.1765    2.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015   -1.0114   -1.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1589    0.6571    1.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3584    0.4885    2.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5424    0.3219   -1.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9020   -0.8425   -2.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1201   -0.1771   -2.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6893   -1.1783    0.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4821    0.1244   -1.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2702   -1.5952   -1.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808   -3.2900    0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4511   -2.8313    0.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4551   -2.8633    1.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8566    2.4568   -0.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411    1.7446    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    4.3384   -0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1678    3.9591   -0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8282   -0.0056   -1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6140   -1.7415   -0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1589   -1.5387   -1.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1072    1.1805    1.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5742   -1.2310   -3.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7427   -0.0460   -3.4201 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  7  1  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 17  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 13  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 14  1  0  0  0  0
 11 33  1  0  0  0  0
 12 16  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  2  0  0  0  0
 14 16  2  0  0  0  0
 14 35  1  0  0  0  0
 15 18  1  0  0  0  0
 15 20  2  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 21  1  0  0  0  0
 18 23  2  0  0  0  0
 19 22  1  0  0  0  0
 19 40  1  0  0  0  0
 20 24  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 692👍, 0💬