Chem
J-GLOBAL ID:201807002327466200   Nikkaji number:J3.722.658K

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

3,6-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-エチル-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: C62H67N3
Molecular formula furigana: C62-H67-N3
Molecular weight: 854.239
InChI: InChI=1S/C62H67N3/c1-16-63-53-27-21-39(19-23-41-33-45(61(10,11)12)37-51-49-35-43(59(4,5)6)25-29-55(49)64(17-2)57(41)51)31-47(53)48-32-40(22-28-54(48)63)20-24-42-34-46(62(13,14)15)38-52-50-36-44(60(7,8)9)26-30-56(50)65(18-3)58(42)52/h21-22,25-38H,16-18H2,1-15H3
InChI key: LTWVHJQTKRSVDN-UHFFFAOYSA-N
SMILES: CCn1c2ccc(cc2c2cc(ccc12)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):
  • 3,6-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-エチル-9H-カルバゾール
  • 3,6-ジ-tert-ブチル-1-(2-{6-[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-エチル-9H-カルバゾール-3-イル}エチニル)-9-エチル-9H-カルバゾール
  • 3,6-di-tert-butyl-1-(2-{6-[2-(3,6-di-tert-butyl-9-ethyl-9H-carbazol-1-yl)ethynyl]-9-ethyl-9H-carbazol-3-yl}ethynyl)-9-ethyl-9H-carbazole
Other name (1):
  • 3,6-Bis[(3,6-di-tert-butyl-9-ethyl-9H-carbazole-1-yl)ethynyl]-9-ethyl-9H-carbazole
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