Chem
J-GLOBAL ID：200907073038911586   Nikkaji number：J2.002.447J

1,4-Bis[3,3,3-tris(3,5-di-tert-butylphenyl)-1-propynyl]benzene

1,4-ビス[3,3,3-トリス(3,5-ジ-tert-ブチルフェニル)-1-プロピニル]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： C96H130
Molecular formula furigana： C96-H130
Molecular weight： 1284.096
InChI： InChI=1S/C96H130/c1-83(2,3)65-45-66(84(4,5)6)52-77(51-65)95(78-53-67(85(7,8)9)46-68(54-78)86(10,11)12,79-55-69(87(13,14)15)47-70(56-79)88(16,17)18)43-41-63-37-39-64(40-38-63)42-44-96(80-57-71(89(19,20)21)48-72(58-80)90(22,23)24,81-59-73(91(25,26)27)49-74(60-81)92(28,29)30)82-61-75(93(31,32)33)50-76(62-82)94(34,35)36/h37-40,45-62H,1-36H3
InChI key： PNYZFWAVFQSHNW-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc(cc(c1)C(C#Cc1ccc(cc1)C#CC(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C
Systematic name  (4)：
  • 1,4-ビス[3,3,3-トリス(3,5-ジ-tert-ブチルフェニル)-1-プロピニル]ベンゼン
  • 1,1′-(1,4-フェニレン)ビス[3,3,3-トリス(3,5-ジ-tert-ブチルフェニル)-1-プロピン]
  • 1-[1,1-ビス(3,5-ジ-tert-ブチルフェニル)-3-{4-[3,3,3-トリス(3,5-ジ-tert-ブチルフェニル)プロパ-1-イン-1-イル]フェニル}プロパ-2-イン-1-イル]-3,5-ジ-tert-ブチルベンゼン
  • 1-[1,1-bis(3,5-di-tert-butylphenyl)-3-{4-[3,3,3-tris(3,5-di-tert-butylphenyl)prop-1-yn-1-yl]phenyl}prop-2-yn-1-yl]-3,5-di-tert-butylbenzene
Other name (2)：
  • 1,4-Bis[3,3,3-tris(3,5-di-tert-butylphenyl)-1-propynyl]benzene
  • 1,1′-(1,4-Phenylene)bis[3,3,3-tris(3,5-di-tert-butylphenyl)-1-propyne]
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