Chem
J-GLOBAL ID：201507016220590587   Nikkaji number：J3.436.953D

3,12-Di-tert-butyl-5,10-diiodo-16,17-ethenodibenzo[c,m]picene

1,2:8,7-ジ(2-ヨードビニレン(5-(tert-ブチル)-1,2-フェニレン))ピレン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H32I2
Molecular formula furigana： C40-H32-I2
Molecular weight： 766.505
InChI： InChI=1S/C40H32I2/c1-39(2,3)23-9-11-25-29-15-21-7-8-22-16-30-26-12-10-24(40(4,5)6)18-34(26)36(42)20-32(30)28-14-13-27(37(21)38(22)28)31(29)19-35(41)33(25)17-23/h7-20H,1-6H3
InChI key： QVNVUNCAKVHNOL-UHFFFAOYSA-N
SMILES： CC(C)(C)c1ccc2c(c1)c(I)cc1c3ccc4c5cc(I)c6cc(ccc6c5cc5ccc(cc21)c3c45)C(C)(C)C
Systematic name  (4)：
  • 3,12-ジ-tert-ブチル-5,10-ジヨード-16,17-エテノジベンゾ[c,m]ピセン
  • 1,2:8,7-ジ(2-ヨードビニレン(5-(tert-ブチル)-1,2-フェニレン))ピレン
  • 7,22-ジ-tert-ブチル-4,25-ジヨードオクタシクロ[14.14.2.02,11.05,10.013,31.018,27.019,24.028,32]ドトリアコンタ-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-ヘキサデカエン
  • 7,22-di-tert-butyl-4,25-diiodooctacyclo[14.14.2.02,11.05,10.013,31.018,27.019,24.028,32]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
Other name (2)：
  • 3,12-Di-tert-butyl-5,10-diiodo-16,17-ethenodibenzo[c,m]picene
  • 1,2:8,7-Di(2-iodovinylene(5-(tert-butyl)-1,2-phenylene))pyrene
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