Chem
J-GLOBAL ID：201707005212339738   Nikkaji number：J3.591.448J

1,2:8,7-Di(2-(4-aminophenyl)vinylene(5-(tert-butyl)-1,2-phenylene))pyrene

1,2:8,7-ジ(2-(4-アミノフェニル)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： C52H44N2
Molecular formula furigana： C52-H44-N2
Molecular weight： 696.938
InChI： InChI=1S/C52H44N2/c1-51(2,3)33-13-19-37-43-23-31-7-8-32-24-44-38-20-14-34(52(4,5)6)26-46(38)42(30-11-17-36(54)18-12-30)28-48(44)40-22-21-39(49(31)50(32)40)47(43)27-41(45(37)25-33)29-9-15-35(53)16-10-29/h7-28H,53-54H2,1-6H3
InChI key： NFMLGOBDZFLKEP-UHFFFAOYSA-N
SMILES： CC(C)(C)c1ccc2c(c1)c(cc1c3ccc4c5cc(c6ccc(N)cc6)c6cc(ccc6c5cc5ccc(cc21)c3c45)C(C)(C)C)c1ccc(N)cc1
Systematic name  (3)：
  • 1,2:8,7-ジ(2-(4-アミノフェニル)ビニレン(5-(tert-ブチル)-1,2-フェニレン))ピレン
  • 4-[25-(4-アミノフェニル)-7,22-ジ-tert-ブチルオクタシクロ[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-4-イル]アニリン
  • 4-[25-(4-aminophenyl)-7,22-di-tert-butyloctacyclo[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-hexadecaen-4-yl]aniline
Other name (1)：
  • 1,2:8,7-Di(2-(4-aminophenyl)vinylene(5-(tert-butyl)-1,2-phenylene))pyrene
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