Chem
J-GLOBAL ID：200907063102983400   Nikkaji number：J1.576.584D

2,5-Bis[3,5-di(tert-butyl)benzyl]-3,6-bis[2′,5′-dihexyl-4′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-4-biphenylyl]-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-1,4-dione

2,5-ビス[3,5-ジ(tert-ブチル)ベンジル]-3,6-ビス[2′,5′-ジヘキシル-4′-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-4-ビフェニリル]-1,2,4,5-テトラヒドロピロロ[3,4-c]ピロール-1,4-ジオン
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： C96H134B2N2O6
Molecular formula furigana： C96-H134-B2-N2-O6
Molecular weight： 1433.760
InChI： InChI=1S/C96H134B2N2O6/c1-25-29-33-37-41-71-59-81(97-103-93(17,18)94(19,20)104-97)73(43-39-35-31-27-3)57-79(71)67-45-49-69(50-46-67)85-83-84(88(102)99(85)63-65-53-75(89(5,6)7)61-76(54-65)90(8,9)10)86(100(87(83)101)64-66-55-77(91(11,12)13)62-78(56-66)92(14,15)16)70-51-47-68(48-52-70)80-58-74(44-40-36-32-28-4)82(60-72(80)42-38-34-30-26-2)98-105-95(21,22)96(23,24)106-98/h45-62H,25-44,63-64H2,1-24H3
InChI key： GEUAAARAIYKGFC-UHFFFAOYSA-N
SMILES： CCCCCCc1cc(c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1)c1ccc(cc1)c1c2c(=O)n(Cc3cc(cc(c3)C(C)(C)C)C(C)(C)C)c(c2c(=O)n1Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1ccc(cc1)c1cc(CCCCCC)c(cc1CCCCCC)B1OC(C)(C)C(C)(C)O1
Systematic name  (3)：
  • 2,5-ビス[3,5-ジ(tert-ブチル)ベンジル]-3,6-ビス[2′,5′-ジヘキシル-4′-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-4-ビフェニリル]-1,2,4,5-テトラヒドロピロロ[3,4-c]ピロール-1,4-ジオン
  • 2,5-ビス[(3,5-ジ-tert-ブチルフェニル)メチル]-3,6-ビス[2',5'-ジヘキシル-4'-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-[1,1'-ビフェニル]-4-イル]-1H,2H,4H,5H-ピロロ[3,4-c]ピロール-1,4-ジオン
  • 2,5-bis[(3,5-di-tert-butylphenyl)methyl]-3,6-bis[2',5'-dihexyl-4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1'-biphenyl]-4-yl]-1H,2H,4H,5H-pyrrolo[3,4-c]pyrrole-1,4-dione
Other name (1)：
  • 2,5-Bis[3,5-di(tert-butyl)benzyl]-3,6-bis[2′,5′-dihexyl-4′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-4-biphenylyl]-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-1,4-dione
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