Molecule FYI-1006023

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A

Molecule Summary:

ID: FYI-1006023
Names:
InChIKey: QSLMDECMDJKHMQ-UHFFFAOYSA-N
SMILES: CNCCCC24CCC(c1ccccc12)c3ccccc34

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006023 Edit

Molecule Structure InChIKey: QSLMDECMDJKHMQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CNCCCC24CCC(c1ccccc12)c3ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006023
FYIcenter.com

 21 24  0  0  0  0  0  0  0  0999 V2000
   10.0549    4.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9108    3.9342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7668    4.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    3.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4785    4.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345    3.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158    4.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2235    3.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2230    2.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385    1.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8697    0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7099    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4943    2.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3754    4.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1597    5.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0557    7.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2713    6.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    5.3658    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  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
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  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  6  1  0  0  0  0
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006023-3D
FYIcenter.com

 44 47  0     0  0  0  0  0  0999 V2000
    5.1037   -0.5222   -0.3220 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1332   -0.4514   -0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0432    0.7465   -1.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1203   -0.4287   -1.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1612    0.2767   -2.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0078    1.0251    0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1804   -1.1504    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4020   -1.1494    0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    1.6570   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3403   -0.4996   -0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6532   -0.4777   -0.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8889    1.7469    0.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3181   -2.2938    0.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4417    2.9869   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125   -0.9880   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9148   -1.1591    0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6064    3.0853    1.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5992   -2.7838    1.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5481    3.7000    0.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7362   -2.1371    0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3133   -1.1834    0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9540    1.2472   -1.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1692   -1.4477   -2.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9703    0.1242   -2.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8749    1.1296   -2.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7166   -0.4191   -2.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4362   -1.1453    1.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4016   -2.2033   -0.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824   -0.6082   -1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7324    0.5942   -0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482    1.3008    1.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4574   -2.8138    1.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366    3.4671   -0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4970   -0.4893   -0.4483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9315   -1.0957    1.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8950   -2.2205   -0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2799    3.6513    1.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7153   -3.6770    1.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7513    4.7397    1.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7226   -2.5343    0.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1263    0.4597   -0.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4039   -1.1304    1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1889   -0.6913   -0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3384   -2.2328   -0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  1 41  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  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 11  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 17  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  1  0  0  0  0
 13 32  1  0  0  0  0
 14 19  1  0  0  0  0
 14 33  1  0  0  0  0
 15 20  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 1032👍, 0💬