Molecule FYI-1016208

A

Molecule Summary:

ID: FYI-1016208
Names:
InChIKey: AXZRNKFNIAOZEK-UHFFFAOYSA-N
SMILES: c6ccc5c(C(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34)c[nH]c5c6

Received at FYIcenter.com on: 2025-11-29

Molecule ID: FYI-1016208 Edit

Molecule Structure InChIKey: AXZRNKFNIAOZEK-UHFFFAOYSA-N

Molecule Structure SMILES String: c6ccc5c(C(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34)c[nH]c5c6

Download SDF Download SVG Structure in 2D SDF:

FYI-1016208
FYIcenter.com

 28 33  0  0  0  0  0  0  0  0999 V2000
    6.8671    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9303    4.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6514    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7977    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8608    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2936    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5997    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1671    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5715    6.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1389    8.3096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    8.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    9.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    9.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    6.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    6.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9475    4.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0106    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7106    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2780    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0169    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0801    2.6630    0.0000 C   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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  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  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 20  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016208-3D
FYIcenter.com

 47 52  0     0  0  0  0  0  0999 V2000
   -3.2525    1.0685    1.6584 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6196   -3.3006    1.6085 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    2.1336    1.7273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0732    0.0020    0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4725    0.3186    0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3994   -1.4253    0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9733    1.0677    0.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6294    0.0099   -0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3005   -2.1578   -0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009    2.1639   -0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8877    0.9692    1.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224   -2.0920    1.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6666    1.0295    1.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7325    0.4912    0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340   -3.3685    0.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737    2.8448    0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8447   -0.6346   -1.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0364   -1.9633   -1.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9038    2.6862   -1.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0454    0.3596    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2699   -4.3986    0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8716    4.0269    0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1525   -0.7733   -1.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8765   -2.9851   -1.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933    3.8677   -1.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2345   -0.2832   -1.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901   -4.1831   -1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619    4.5261   -1.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0531    0.0107   -0.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4468   -2.8406   -2.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1907    4.2754   -2.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2420   -0.4021   -1.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6487   -4.9632   -1.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065    5.4424   -1.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  1 33  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  2 34  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 29  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  8 17  2  0  0  0  0
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  9 18  2  0  0  0  0
 10 16  1  0  0  0  0
 10 19  2  0  0  0  0
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 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 17 36  1  0  0  0  0
 18 24  1  0  0  0  0
 18 37  1  0  0  0  0
 19 25  1  0  0  0  0
 19 38  1  0  0  0  0
 20 26  1  0  0  0  0
 20 39  1  0  0  0  0
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 22 28  1  0  0  0  0
 22 41  1  0  0  0  0
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 25 28  2  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

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2025-12-09, 377👍, 0💬