Chem
J-GLOBAL ID:200907027778034706   Nikkaji number:J712.993I

3,5,3′′′′′,5′′′′′-Tetra-tert-butyl-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-sexibenzene

3,5,3′′′′′,5′′′′′-テトラ-tert-ブチル-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-セキシベンゼン
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: C52H58
Molecular formula furigana: C52-H58
Molecular weight: 683.036
InChI: InChI=1S/C52H58/c1-49(2,3)45-29-43(30-46(33-45)50(4,5)6)41-25-21-39(22-26-41)37-17-13-35(14-18-37)36-15-19-38(20-16-36)40-23-27-42(28-24-40)44-31-47(51(7,8)9)34-48(32-44)52(10,11)12/h13-34H,1-12H3
InChI key: VHGUNAJOQDYDDQ-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc(cc(c1)C(C)(C)C)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Systematic name  (3):
  • 3,5,3′′′′′,5′′′′′-テトラ-tert-ブチル-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-セキシベンゼン
  • 3,5-ジ-tert-ブチル-4'-(4'-{3',5'-ジ-tert-ブチル-[1,1'-ビフェニル]-4-イル}-[1,1'-ビフェニル]-4-イル)-1,1'-ビフェニル
  • 3,5-di-tert-butyl-4'-(4'-{3',5'-di-tert-butyl-[1,1'-biphenyl]-4-yl}-[1,1'-biphenyl]-4-yl)-1,1'-biphenyl
Other name (1):
  • 3,5,3′′′′′,5′′′′′-Tetra-tert-butyl-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-sexibenzene
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