Molecule FYI-1014013

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A

Molecule Summary:

ID: FYI-1014013
Names:
InChIKey: IABBZBVTZRKDFW-UHFFFAOYSA-N
SMILES: NC3CC(c1ccccc1)(c2ccccc2)C3

Received at FYIcenter.com on: 2025-02-16

Molecule ID: FYI-1014013 Edit

Molecule Structure InChIKey: IABBZBVTZRKDFW-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014013
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    3.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9997    4.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3496    2.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6619    1.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4618    1.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7495    2.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    5.3200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014013-3D
FYIcenter.com

 34 36  0     0  0  0  0  0  0999 V2000
   -0.2733   -4.1138    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0201   -0.8069   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0947   -1.9223   -1.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0952   -1.9218    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8076   -2.7832   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2815    0.0348   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    0.2147   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.4133    1.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7122    0.6732   -1.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8673    0.4144   -1.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7117    0.6722    1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0376    1.1714    1.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    1.5911   -1.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382    1.1724   -1.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    1.5901    1.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233    1.5510    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2873    2.0495    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8848   -2.3081   -1.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817   -1.7543   -1.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825   -1.7539    1.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8842   -2.3076    1.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9002   -2.7109   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415   -4.6654    0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5410   -4.6658   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226    0.1328    2.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099    0.3495   -2.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4236    0.1347   -2.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090    0.3483    2.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4924    1.4675    2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1683    1.9530   -2.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4936    1.4693   -2.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676    1.9512    2.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5346    2.1419    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1035    2.7660    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  2  0  0  0  0
 10 27  1  0  0  0  0
 11 15  2  0  0  0  0
 11 28  1  0  0  0  0
 12 16  2  0  0  0  0
 12 29  1  0  0  0  0
 13 17  2  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 1308👍, 0💬