Chem
J-GLOBAL ID：201807001351792961   Nikkaji number：J3.722.662I

2,7-Bis[(3,6-di-tert-butyl-9-ethyl-9H-carbazole-1-yl)ethynyl]-9-hexyl-9H-carbazole

2,7-ビス[(3,6-ジ-tert-ブチル-9-エチル-9H-カルバゾール-1-イル)エチニル]-9-ヘキシル-9H-カルバゾール
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： C66H75N3
Molecular formula furigana： C66-H75-N3
Molecular weight： 910.347
InChI： InChI=1S/C66H75N3/c1-16-19-20-21-34-69-59-35-43(22-26-45-37-49(65(10,11)12)41-55-53-39-47(63(4,5)6)28-32-57(53)67(17-2)61(45)55)24-30-51(59)52-31-25-44(36-60(52)69)23-27-46-38-50(66(13,14)15)42-56-54-40-48(64(7,8)9)29-33-58(54)68(18-3)62(46)56/h24-25,28-33,35-42H,16-21,34H2,1-15H3
InChI key： XBHMCPQWTLVGDK-UHFFFAOYSA-N
SMILES： CCCCCCn1c2cc(ccc2c2ccc(cc12)C#Cc1cc(cc2c3cc(ccc3n(CC)c12)C(C)(C)C)C(C)(C)C)C#Cc1cc(cc2c3cc(ccc3n(CC)c12)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 2,7-ビス[(3,6-ジ-tert-ブチル-9-エチル-9H-カルバゾール-1-イル)エチニル]-9-ヘキシル-9H-カルバゾール
  • 3,6-ジ-tert-ブチル-1-(2-{7-[2-(3,6-ジ-tert-ブチル-9-エチル-9H-カルバゾール-1-イル)エチニル]-9-ヘキシル-9H-カルバゾール-2-イル}エチニル)-9-エチル-9H-カルバゾール
  • 3,6-di-tert-butyl-1-(2-{7-[2-(3,6-di-tert-butyl-9-ethyl-9H-carbazol-1-yl)ethynyl]-9-hexyl-9H-carbazol-2-yl}ethynyl)-9-ethyl-9H-carbazole
Other name (1)：
  • 2,7-Bis[(3,6-di-tert-butyl-9-ethyl-9H-carbazole-1-yl)ethynyl]-9-hexyl-9H-carbazole
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