Chem
J-GLOBAL ID：201607011096468846   Nikkaji number：J3.460.975F

1,2-[Ethynylene(4-ethynyl-1,2-phenylene)ethynyleneethynylene(4-(tert-butyl)-1,2-phenylene)ethynylene(4-ethynyl-1,2-phenylene)ethynyleneethynylene]-4-(tert-butyl)benzene

1,2-[エチニレン(4-エチニル-1,2-フェニレン)エチニレンエチニレン(4-(tert-ブチル)-1,2-フェニレン)エチニレン(4-エチニル-1,2-フェニレン)エチニレンエチニレン]-4-(tert-ブチル)ベンゼン
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： C48H32
Molecular formula furigana： C48-H32
Molecular weight： 608.784
InChI： InChI=1S/C48H32/c1-9-35-19-21-38-23-24-40-28-30-45(47(3,4)5)33-43(40)18-14-13-17-42-32-36(10-2)20-22-39(42)25-26-44-34-46(48(6,7)8)29-27-37(44)15-11-12-16-41(38)31-35/h1-2,19-22,27-34H,3-8H3
InChI key： YWVCVQKBLYOZJO-UHFFFAOYSA-N
SMILES： CC(C)(C)c1ccc2C#Cc3ccc(cc3C#CC#Cc3ccc(cc3C#Cc3ccc(cc3C#CC#Cc2c1)C#C)C(C)(C)C)C#C
Systematic name  (3)：
  • 1,2-[エチニレン(4-エチニル-1,2-フェニレン)エチニレンエチニレン(4-(tert-ブチル)-1,2-フェニレン)エチニレン(4-エチニル-1,2-フェニレン)エチニレンエチニレン]-4-(tert-ブチル)ベンゼン
  • 6,25-ジ-tert-ブチル-16,34-ジエチニルペンタシクロ[30.4.0.04,9.014,19.022,27]ヘキサトリアコンタ-1(36),4,6,8,14,16,18,22,24,26,32,34-ドデカエン-2,10,12,20,28,30-ヘキサイン
  • 6,25-di-tert-butyl-16,34-diethynylpentacyclo[30.4.0.04,9.014,19.022,27]hexatriaconta-1(36),4,6,8,14,16,18,22,24,26,32,34-dodecaen-2,10,12,20,28,30-hexayne
Other name (1)：
  • 1,2-[Ethynylene(4-ethynyl-1,2-phenylene)ethynyleneethynylene(4-(tert-butyl)-1,2-phenylene)ethynylene(4-ethynyl-1,2-phenylene)ethynyleneethynylene]-4-(tert-butyl)benzene
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