Molecule FYI-1000940

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Molecule Summary:

ID: FYI-1000940
SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31

Received at FYIcenter.com on: 2021-07-20

Molecule ID: FYI-1000940 Edit

Molecule Structure SMILES String: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31

Download SDF Download SVG Structure in 2D SDF:

FYI-1000940
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.5830    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    4.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    2.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1582    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9458    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7333    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6757    6.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3116    6.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148    3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9107    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2748    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9633    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254    2.7299    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  2  1  0  0  0  0
  5  4  1  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
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  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
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 21  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000940-3D
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
    1.3100   -0.6182    1.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5609   -0.3219    0.7480 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -0.3421   -0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1141    0.9659    1.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4612    1.3314    0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0358    2.6367    1.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3476    2.9550    1.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3756    1.9429    0.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5795    1.5227   -0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5524    0.5664   -0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3318    0.0326    0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1451    0.4566    1.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1698    1.4160    1.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9867    1.9218    3.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4596    3.3721    3.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6882    4.4790    2.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0274    5.7963    3.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4235    6.9066    2.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723    6.7254    1.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1318    5.4351    1.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7194    4.2966    1.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9220   -1.5981    1.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5371    0.1329    1.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4752   -0.6682    2.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8588   -1.2845   -1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2725   -0.2947   -1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876    0.4840   -1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2727    0.9036    2.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3911    1.7745    1.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    1.4521   -0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1563    0.5009    0.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2910    3.3792    1.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9783    1.9378   -1.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7029    0.2398   -1.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0913   -0.7108    0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7705    0.0403    2.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5668    1.2955    3.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9396    1.8129    3.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5041    3.4377    3.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4551    3.6020    4.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7863    5.9603    3.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7072    7.9084    2.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064    7.5849    1.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4082    5.3212    0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
M  END
$$$$

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2021-08-13, 3298👍, 0💬