Molecule FYI-1007478

A

Molecule Summary:

ID: FYI-1007478
Names:
InChIKey: SOIXGBGHVSXNKH-UHFFFAOYSA-N
SMILES: c1ccc6c(c1)ccc5ccc4c(ccc3ccc2ccccc2c34)c56

Received at FYIcenter.com on: 2024-02-24

Molecule ID: FYI-1007478 Edit

Molecule Structure InChIKey: SOIXGBGHVSXNKH-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc6c(c1)ccc5ccc4c(ccc3ccc2ccccc2c34)c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1007478
FYIcenter.com

 26 31  0  0  0  0  0  0  0  0999 V2000
    2.8322    1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7011    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1249    2.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7104    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028    3.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078    4.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8289    3.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    4.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8328    6.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2385    6.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275    3.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325    4.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2988    2.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9094    2.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0123    3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3234    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1054    4.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3978    3.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4198    6.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321    6.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3457    7.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0452    8.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4383    8.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1182    7.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 14 12  1  0  0  0  0
  9 13  1  0  0  0  0
  6  5  1  0  0  0  0
  3  2  1  0  0  0  0
 14 13  1  0  0  0  0
 18 14  2  0  0  0  0
  7  6  2  0  0  0  0
 15 17  2  0  0  0  0
 16 15  1  0  0  0  0
 13 16  2  0  0  0  0
  8  7  1  0  0  0  0
 10  8  2  0  0  0  0
 18 17  1  0  0  0  0
 22 18  1  0  0  0  0
  5  9  2  0  0  0  0
 19 21  1  0  0  0  0
  4  3  2  0  0  0  0
 20 19  2  0  0  0  0
 17 20  1  0  0  0  0
  6  4  1  0  0  0  0
 10  9  1  0  0  0  0
 22 21  1  0  0  0  0
  2  1  2  0  0  0  0
 23 22  2  0  0  0  0
 11 10  1  0  0  0  0
 24 23  1  0  0  0  0
  1  5  1  0  0  0  0
 25 24  2  0  0  0  0
 12 11  2  0  0  0  0
 26 25  1  0  0  0  0
 21 26  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007478-3D
FYIcenter.com

 42 47  0     0  0  0  0  0  0999 V2000
    0.6235    0.3491    0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6235   -0.3488    0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9093   -0.3471    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094    0.3474    0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8812   -1.7395    0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8814    1.7397    0.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2232    0.2210   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2232   -0.2209   -0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5359    1.7338    0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360   -1.7334    0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    2.4075    0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6748   -2.4071    0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3984   -0.5669   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3985    0.5667   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0540   -2.4902    0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0544    2.4902    0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2973   -1.9036    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2976    1.9033    0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4443    1.5159   -0.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4438   -1.5158   -0.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6777   -0.0375   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6778    0.0370   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7189    2.0339   -0.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7183   -2.0342   -0.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397    1.2624   -0.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8394   -1.2629   -0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6492   -3.4759    0.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0155   -3.5535    0.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1842   -2.5240    0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6134    2.1522   -0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5676   -0.6479   -0.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8241    3.0361   -1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8321    1.6552   -0.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8317   -1.6561   -0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7 13  1  0  0  0  0
  7 19  2  0  0  0  0
  8 14  1  0  0  0  0
  8 20  2  0  0  0  0
  9 11  2  0  0  0  0
  9 27  1  0  0  0  0
 10 12  2  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  2  0  0  0  0
 14 18  1  0  0  0  0
 14 22  2  0  0  0  0
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 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 20 24  1  0  0  0  0
 20 36  1  0  0  0  0
 21 25  1  0  0  0  0
 21 37  1  0  0  0  0
 22 26  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 1335👍, 0💬