Chem
J-GLOBAL ID：200907060797078304   Nikkaji number：J1.576.580A

2,5-Bis[3,5-di(tert-butyl)benzyl]-3,6-bis[2′,5′-dihexyl-4′′-[1,4-dioxo-2,5-bis[3,5-di(tert-butyl)benzyl]-6-phenyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3-yl]-1,1′:4′,1′′-terbenzene-4-yl]-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′′-[1,4-ジオキソ-2,5-ビス[3,5-ジ(tert-ブチル)ベンジル]-6-フェニル-1,2,4,5-テトラヒドロピロロ[3,4-c]ピロール-3-イル]-1,1′:4′,1′′-テルベンゼン-4-イル]-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： C180H220N6O6
Molecular formula furigana： C180-H220-N6-O6
Molecular weight： 2563.776
InChI： InChI=1S/C180H220N6O6/c1-41-45-49-55-67-131-101-149(133(69-57-51-47-43-3)99-147(131)121-71-79-127(80-72-121)159-153-151(163(187)183(159)111-117-91-139(173(17,18)19)105-140(92-117)174(20,21)22)157(125-63-59-53-60-64-125)181(165(153)189)109-115-87-135(169(5,6)7)103-136(88-115)170(8,9)10)123-75-83-129(84-76-123)161-155-156(168(192)185(161)113-119-95-143(177(29,30)31)107-144(96-119)178(32,33)34)162(186(167(155)191)114-120-97-145(179(35,36)37)108-146(98-120)180(38,39)40)130-85-77-124(78-86-130)150-102-132(68-56-50-46-42-2)148(100-134(150)70-58-52-48-44-4)122-73-81-128(82-74-122)160-154-152(164(188)184(160)112-118-93-141(175(23,24)25)106-142(94-118)176(26,27)28)158(126-65-61-54-62-66-126)182(166(154)190)110-116-89-137(171(11,12)13)104-138(90-116)172(14,15)16/h53-54,59-66,71-108H,41-52,55-58,67-70,109-114H2,1-40H3
InChI key： SRYQHIGJUIXXRZ-UHFFFAOYSA-N
SMILES： CCCCCCc1cc(c(CCCCCC)cc1c1ccc(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)c1ccccc1)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)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)c1ccccc1
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′′-[1,4-ジオキソ-2,5-ビス[3,5-ジ(tert-ブチル)ベンジル]-6-フェニル-1,2,4,5-テトラヒドロピロロ[3,4-c]ピロール-3-イル]-1,1′:4′,1′′-テルベンゼン-4-イル]-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
  • 3-[4-(4'-{4-[4-(4'-{2,5-ビス[(3,5-ジ-tert-ブチルフェニル)メチル]-3,6-ジオキソ-4-フェニル-2H,3H,5H,6H-ピロロ[3,4-c]ピロール-1-イル}-2,5-ジヘキシル-[1,1'-ビフェニル]-4-イル)フェニル]-2,5-ビス[(3,5-ジ-tert-ブチルフェニル)メチル]-3,6-ジオキソ-2H,3H,5H,6H-ピロロ[3,4-c]ピロール-1-イル}-2,5-ジヘキシル-[1,1'-ビフェニル]-4-イル)フェニル]-2,5-ビス[(3,5-ジ-tert-ブチルフェニル)メチル]-6-フェニル-1H,2H,4H,5H-ピロロ[3,4-c]ピロール-1,4-ジオン
  • 3-[4-(4'-{4-[4-(4'-{2,5-bis[(3,5-di-tert-butylphenyl)methyl]-3,6-dioxo-4-phenyl-2H,3H,5H,6H-pyrrolo[3,4-c]pyrrol-1-yl}-2,5-dihexyl-[1,1'-biphenyl]-4-yl)phenyl]-2,5-bis[(3,5-di-tert-butylphenyl)methyl]-3,6-dioxo-2H,3H,5H,6H-pyrrolo[3,4-c]pyrrol-1-yl}-2,5-dihexyl-[1,1'-biphenyl]-4-yl)phenyl]-2,5-bis[(3,5-di-tert-butylphenyl)methyl]-6-phenyl-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′′-[1,4-dioxo-2,5-bis[3,5-di(tert-butyl)benzyl]-6-phenyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3-yl]-1,1′:4′,1′′-terbenzene-4-yl]-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-1,4-dione
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