Molecule FYI-1006720

A

Molecule Summary:

ID: FYI-1006720
Names:
InChIKey: YRBHUKMLAGQYHS-UHFFFAOYSA-N
SMILES: Cc4cccc(C3=C(c2ccc1ncccc1n2)CNN3)n4

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006720 Edit

Molecule Structure InChIKey: YRBHUKMLAGQYHS-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cccc(C3=C(c2ccc1ncccc1n2)CNN3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006720
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    9.6649    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2400    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0276    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0276    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8152    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5362    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    3.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2855    4.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    5.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    6.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    7.7305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    8.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    5.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    5.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9136    4.0550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5994    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2994    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2400    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  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
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 16 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
 18  9  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21  7  1  0  0  0  0
 22  6  2  0  0  0  0
 22  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006720-3D
FYIcenter.com

 37 40  0     0  0  0  0  0  0999 V2000
   -2.9335   -3.2000   -0.2196 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2273   -1.8399   -0.2132 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569   -0.2560   -0.4946 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3364    1.0872    0.6785 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3241   -0.2627    0.2961 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0074   -1.7973   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4571   -3.2358   -0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1174   -1.0433   -0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4071   -1.4240    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615    0.4135   -0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -2.2462    0.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0478    0.1240   -0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3021    1.0386   -0.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -0.6422    0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216   -1.8364    0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4612    2.4326    0.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3972    2.4240   -0.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    1.3183   -1.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4632    3.1417    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417    3.1710    1.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7855    1.7277   -0.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6742    0.9053   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9954   -3.7833   -0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2306   -3.7480    0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1671   -3.5716   -1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1740   -1.4869   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0050   -3.1798    1.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0279    0.4889   -1.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3433   -2.4673    1.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1956    2.9438   -1.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7372    1.9508   -1.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5265    4.2228    0.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1096    3.8699    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9233    3.7273    2.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815    2.4808    1.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1063    2.6591   -1.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7231    1.1682   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 25  1  0  0  0  0
  2  8  1  0  0  0  0
  2 26  1  0  0  0  0
  3  9  2  0  0  0  0
  3 12  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  2  0  0  0  0
  5 14  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 15  2  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 21  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-24, 932👍, 0💬