Molecule FYI-1007691

A

Molecule Summary:

ID: FYI-1007691
Names:
InChIKey: UIDXKUBWWZGLDQ-UHFFFAOYSA-N
SMILES: Brc6cc(Br)cc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)c6

Received at FYIcenter.com on: 2024-03-12

Molecule ID: FYI-1007691 Edit

Molecule Structure InChIKey: UIDXKUBWWZGLDQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Brc6cc(Br)cc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)c6

Download SDF Download SVG Structure in 2D SDF:

FYI-1007691
FYIcenter.com

 30 35  0  0  0  0  0  0  0  0999 V2000
    2.4150    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    4.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    6.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    7.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    6.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2499    7.1450    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4101    7.1451    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 11 14  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 17 21  1  0  0  0  0
 16 18  1  0  0  0  0
 13 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
  6 28  1  0  0  0  0
 11 28  1  0  0  0  0
 24 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007691-3D
FYIcenter.com

 46 51  0  0  0  0  0  0  0  0999 V2000
   -2.8336   -0.6313    0.0861 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    0.3980    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123   -0.2435    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1466    0.5251    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357   -0.3258    0.0979 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0789    1.9199    0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643    2.5780    0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2378    4.1028   -0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0343    4.4569   -1.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3334    4.9539   -1.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621    5.2140   -2.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7064    4.9771   -3.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4190    4.4745   -3.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990    4.2188   -5.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2640    3.6975   -5.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1285    3.4388   -4.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7283    3.7007   -3.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552    4.2121   -2.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9005    5.1847    0.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0663    5.3177    1.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6221    5.9921    2.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621    6.2228    3.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5413    5.7727    3.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1994    6.0357    4.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5179    5.6099    4.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1095    4.9201    3.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843    4.6573    2.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0396    5.0663    2.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7509    4.8337    1.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3303    1.7922    0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0452   -1.3281    0.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0018    2.4929    0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7707    4.5002   -0.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3729    5.1800   -4.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6646    4.4157   -5.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5683    3.4934   -6.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1161    3.0293   -4.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    3.4880   -2.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3119    6.7681    4.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2490    6.5816    5.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0777    5.8215    5.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1402    4.5846    3.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    4.1268    1.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3088    2.2678    0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  2  0  0  0  0
  3  4  2  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
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  2  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  2  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  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
 26 27  2  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 30 46  1  0  0  0  0
M  END
$$$$

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2024-03-23, 168👍, 0💬