Molecule Editor

Molecule ID: FYI-1006491 Edit

Molecule Structure InChIKey: ZAFKAURCUGXQSU-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5cc(C)cc6c4cc(n3c1ccccc1c2cc(C)cc(OC)c23)ccc4[nH]c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1006491
FYIcenter.com

 32 37  0  0  0  0  0  0  0  0999 V2000
   13.0080    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7955    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5831    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3707    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3707    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1582    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3707    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0797    5.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6872    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8645    6.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4720    6.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9026    5.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5103    5.2767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2946    5.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    4.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041    3.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    1.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2429    2.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6123    2.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450    1.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    4.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  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  2  0  0  0  0
 15 14  1  0  0  0  0
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 16  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 29  2  0  0  0  0
 32 17  1  0  0  0  0
 32 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006491-3D
FYIcenter.com

 56 61  0     0  0  0  0  0  0999 V2000
    1.3551    2.4521    0.8436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3651    0.2282    1.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8847   -0.4819    0.3036 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4300   -0.1154    1.6793 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7642    0.5809    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258   -1.6595   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9891    0.0726   -0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5649   -0.3972    0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384   -1.3438   -0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7845   -0.1181    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0675   -0.2308    1.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0291    0.0713   -0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400   -0.2038   -0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.0690    0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5524    1.9433    0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2505   -0.5057    2.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0580    0.9705   -0.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0736   -0.4247    2.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300   -2.9682   -0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7009   -2.3882   -0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8614    2.3359   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$