Molecule FYI-1015626

A

Molecule Summary:

ID: FYI-1015626
Names:
InChIKey: LTLRXTDMXOFBDW-UHFFFAOYSA-N
SMILES: Clc5ccc(C(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34)cc5

Received at FYIcenter.com on: 2025-09-19

Molecule ID: FYI-1015626 Edit

Molecule Structure InChIKey: LTLRXTDMXOFBDW-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc5ccc(C(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1015626
FYIcenter.com

 26 30  0  0  0  0  0  0  0  0999 V2000
    8.2886    1.9553    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0762    2.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0762    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8638    4.7553    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
    4.6514    2.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8638    1.9553    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
    4.5714    6.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    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
    2.3062    6.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    6.6871    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
    0.4326    9.0590    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
    2.2264    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9475    4.6246    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
    2.0801    2.6630    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
    2.5843    0.2911    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
    0.2780    1.0403    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
  7  2  1  0  0  0  0
  8  5  1  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  1  0  0  0  0
 13 12  2  0  0  0  0
 13  9  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
 17 12  1  0  0  0  0
 18  8  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 18  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
 26 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015626-3D
FYIcenter.com

 43 47  0     0  0  0  0  0  0999 V2000
   -2.9450    5.2944   -0.2058 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2582    1.1982    1.3179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4985   -2.2569    1.9923 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1272    0.1381   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5122    0.3738    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229   -0.9274    0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6602    1.4580   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824   -0.2884   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -1.6389   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8984    1.2818    1.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -1.2914    1.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637    0.2474    0.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2436   -2.4895    0.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9264   -1.2951   -1.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3504   -1.6758   -1.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6141    2.2504   -1.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3736    1.7859    0.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0820   -0.1751    0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3018   -3.3784    0.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2399   -1.7275   -1.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4097   -2.5601   -1.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996   -1.1747   -0.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8765   -3.3974   -0.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3278    3.4487   -1.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    2.9843    0.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0647    3.8157   -0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1870   -0.1848   -1.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452    1.9803    1.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1185   -0.9796    2.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8114    1.7524    1.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6275   -2.7307    2.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -1.7384   -1.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0006   -1.0299   -2.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416    1.9719   -2.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949    1.1924    1.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    0.2547    0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6660   -4.0307    1.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340   -2.5040   -2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8728   -2.5927   -2.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3120   -1.5256   -0.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7005   -4.0765   -0.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3003    4.0869   -2.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6513    3.2616    1.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 30  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 31  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 27  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 16  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
  9 15  2  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 14 32  1  0  0  0  0
 15 21  1  0  0  0  0
 15 33  1  0  0  0  0
 16 24  1  0  0  0  0
 16 34  1  0  0  0  0
 17 25  2  0  0  0  0
 17 35  1  0  0  0  0
 18 22  1  0  0  0  0
 18 36  1  0  0  0  0
 19 23  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 26  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

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2025-09-24, 516👍, 0💬