Molecule FYI-1003882

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A

Molecule Summary:

ID: FYI-1003882
Names:
InChIKey: RETHHKSRJRNGJY-UHFFFAOYSA-N
SMILES: c4ccc3cc(c2ccc1ncccc1c2)ccc3c4

Received at FYIcenter.com on: 2023-08-03

Molecule ID: FYI-1003882 Edit

Molecule Structure InChIKey: RETHHKSRJRNGJY-UHFFFAOYSA-N

Molecule Structure SMILES String: c4ccc3cc(c2ccc1ncccc1c2)ccc3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003882
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    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  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
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 16  7  1  0  0  0  0
 17  6  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
 20  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003882-3D
FYIcenter.com

 33 36  0     0  0  0  0  0  0999 V2000
    4.8898   -0.5924   -0.2838 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7158   -0.5824    0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7288   -0.5753   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8385    0.5899   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5200   -0.5993    0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361    0.5817   -0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430    0.6005    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400    0.5892    0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3861   -1.7518    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790   -1.7616    0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4149   -1.7307   -0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5461   -0.5689   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8097   -1.7192   -0.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5795    1.7523   -0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9224   -0.5908    0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5839    1.7587    0.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9724    1.7425   -0.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6425    0.5733    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9685    1.7376    0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5675    0.5468   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9368    1.4992   -0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9385    1.5032    0.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8665   -2.6733    0.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2822   -2.6850    0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9096   -2.6584   -0.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3238   -2.6354   -0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0774    2.6782   -0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4672   -1.4933    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862    2.6844    0.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5336    2.6484   -0.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7269    0.5664    0.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5568    2.6239    0.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6466    0.4703   -0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 20  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  3  8  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  1  0  0  0  0
  5 15  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 16  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 26  1  0  0  0  0
 14 17  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
$$$$

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2023-08-09, 2024👍, 0💬