Molecule FYI-1013823

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A

Molecule Summary:

ID: FYI-1013823
Names:
InChIKey: JQYAMCJLSSDXEH-UHFFFAOYSA-N
SMILES: NC3CC(c1ccccc1)C(c2ccccc2)C3

Received at FYIcenter.com on: 2025-01-29

Molecule ID: FYI-1013823 Edit

Molecule Structure InChIKey: JQYAMCJLSSDXEH-UHFFFAOYSA-N

Molecule Structure SMILES String: NC3CC(c1ccccc1)C(c2ccccc2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013823
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    7.2455    6.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    7.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8204    6.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8204    5.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    4.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    5.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    4.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0924    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2514    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5829    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8740    1.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8336    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    4.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455    5.3353    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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  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  2  0  0  0  0
 16 11  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  2  0  0  0  0
 18  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013823-3D
FYIcenter.com

 37 39  0  0  1  0  0  0  0  0999 V2000
    0.8802   -0.0380    0.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3309   -0.0738    0.1779 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9070   -1.3728    0.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3063   -1.0269    1.3105 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5002   -1.8791    0.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4022   -2.9802    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5462   -3.6265   -0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8064   -3.2073   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9247   -2.1682    0.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7821   -1.5201    1.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4541    0.5269    1.1174 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3366    1.0568   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5355    0.3801   -1.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4767    0.8305   -2.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1943    1.9978   -1.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9577    2.7251   -0.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0363    2.2592    0.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0074    1.0225    0.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -0.7890   -0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5301    0.8345   -0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6063    0.0211   -0.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -2.1331   -0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2845   -1.7599    1.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2119   -1.1915    2.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4459   -3.3450   -0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4442   -4.4426   -1.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6943   -3.6890   -0.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9077   -1.8406    1.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9071   -0.6883    2.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8720    0.9274    2.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0050   -0.5413   -1.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6638    0.2518   -3.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9385    2.3363   -2.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5070    3.6439   -0.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8889    2.8312    1.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9184    2.0030    0.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556    1.0995    1.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END
$$$$

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2025-02-16, 797👍, 0💬