Chem
J-GLOBAL ID：200907011257028951   Nikkaji number：J1.399.682B

1,1′,10,10′-[1-Methyl-2-[4′-[4′-methyl-2,2′,5,5′-tetrakis[(S)-2-methylbutoxy]stilbene-4-yl]-2,2′,5,5′-tetrakis[(S)-2-methylbutoxy]stilbene-4-yl]pyrrolidine-3,3,4,4-tetryl]-1′′,6′,7′,10′′-(1,1,2,2-ethenetetryl)-6,6′′,7,7′′-(1,1,2,2-ethenetetryl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexyl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene

1′-メチル-2′-[4′-[4′-メチル-2,2′,5,5′-テトラキス[(S)-2-メチルブトキシ]スチルベン-4-イル]-2,2′,5,5′-テトラキス[(S)-2-メチルブトキシ]スチルベン-4-イル]-1′,5′-ジヒドロ-2′H-[C60]フラーレノ[1,9-c]ピロール
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： C132H109NO8
Molecular formula furigana： C132-H109-N-O8
Molecular weight： 1837.323
InChI： InChI=1S/C132H109NO8/c1-19-48(9)39-134-64-32-57(65(31-56(64)17)135-40-49(10)20-2)27-28-58-33-69(139-44-53(14)24-6)61(36-66(58)136-41-50(11)21-3)62-37-67(137-42-51(12)22-4)59(34-70(62)140-45-54(15)25-7)29-30-60-35-71(141-46-55(16)26-8)63(38-68(60)138-43-52(13)23-5)130-132-128-122-116-106-94-86-78-74-72-73-76-80(78)88(94)98-92-84(76)85-77(73)81-79-75(72)83-82(74)90-96(86)104-110-100(90)101-91(83)97-87(79)95-89(81)99-93(85)103-102(92)114(108(98)116)124(128)125-115(103)109(99)117-107(95)113-105(97)111(101)119-118(110)126(120(122)112(104)106)131(132,47-133(130)18)127(119)121(113)123(117)129(125)132/h27-38,48-55,130H,19-26,39-47H2,1-18H3/t48-,49-,50-,51-,52-,53-,54-,55-,130?,131?,132?/m0/s1
InChI key： QJJHPIQVZBNRFB-QIGFNQFISA-N
SMILES： CC[C@H](C)COc1cc(C=Cc2cc(OC[C@@H](C)CC)c(cc2OC[C@@H](C)CC)c2cc(OC[C@@H](C)CC)c(C=Cc3cc(OC[C@@H](C)CC)c(cc3OC[C@@H](C)CC)C3N(C)CC45c6c7c8c4c4c9c%10c%11c%12c(c%13c6c6c%14c7c7c%15c8c8c4c4c9c9c%11c%11c%16c%12c%12c%13c6c6c%13c%14c7c7c%14c%15c8c8c4c4c9c%11c9c%11c%16c%12c6c6c%13c7c7c%14c8c4c9c7c%116)C35%10)cc2OC[C@@H](C)CC)c(OC[C@@H](C)CC)cc1C
Systematic name  (3)：
  • 1,1′,10,10′-[1-メチル-2-[4′-[4′-メチル-2,2′,5,5′-テトラキス[(S)-2-メチルブトキシ]スチルベン-4-イル]-2,2′,5,5′-テトラキス[(S)-2-メチルブトキシ]スチルベン-4-イル]ピロリジン-3,3,4,4-テトライル]-1′′,6′,7′,10′′-(1,1,2,2-エテンテトライル)-6,6′′,7,7′′-(1,1,2,2-エテンテトライル)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-5,5′′:8,8′′:8′,9′′:9,9′-テトラキスシクロ-2,2′:5′,2′′-テルフルオランテン
  • 36-メチル-37-(4-{2-[4'-(2-{4-メチル-2,5-ビス[(2S)-2-メチルブトキシ]フェニル}エテニル)-2,2',5,5'-テトラキス[(2S)-2-メチルブトキシ]-[1,1'-ビフェニル]-4-イル]エテニル}-2,5-ビス[(2S)-2-メチルブトキシ]フェニル)-36-アザドトリアコンタシクロ[14.13.31.13,31.18,12.113,21.02,10.04,39.05,9.06,41.07,60.011,29.014,19.017,58.018,52.020,51.022,27.023,50.024,48.025,32.026,30.033,47.034,38.034,45.040,44.042,59.043,56.046,55.049,54.053,57.015,63.028,62.038,61]トリヘキサコンタ-1,3,5,7(60),8(63),9,11,13,15,17,19,21(62),22(27),23(50),24,26(30),28,31(61),32,39,41,43(56),44,46,48,51,53(57),54,58-ノナコサエン
  • 36-methyl-37-(4-{2-[4'-(2-{4-methyl-2,5-bis[(2S)-2-methylbutoxy]phenyl}ethenyl)-2,2',5,5'-tetrakis[(2S)-2-methylbutoxy]-[1,1'-biphenyl]-4-yl]ethenyl}-2,5-bis[(2S)-2-methylbutoxy]phenyl)-36-azadotriacontacyclo[14.13.31.13,31.18,12.113,21.02,10.04,39.05,9.06,41.07,60.011,29.014,19.017,58.018,52.020,51.022,27.023,50.024,48.025,32.026,30.033,47.034,38.034,45.040,44.042,59.043,56.046,55.049,54.053,57.015,63.028,62.038,61]trihexaconta-1,3,5,7(60),8(63),9,11,13,15,17,19,21(62),22(27),23(50),24,26(30),28,31(61),32,39,41,43(56),44,46,48,51,53(57),54,58-nonacosaene
Other name (2)：
  • 1,1′,10,10′-[1-Methyl-2-[4′-[4′-methyl-2,2′,5,5′-tetrakis[(S)-2-methylbutoxy]stilbene-4-yl]-2,2′,5,5′-tetrakis[(S)-2-methylbutoxy]stilbene-4-yl]pyrrolidine-3,3,4,4-tetryl]-1′′,6′,7′,10′′-(1,1,2,2-ethenetetryl)-6,6′′,7,7′′-(1,1,2,2-ethenetetryl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexyl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene
  • 1′-メチル-2′-[4′-[4′-メチル-2,2′,5,5′-テトラキス[(S)-2-メチルブトキシ]スチルベン-4-イル]-2,2′,5,5′-テトラキス[(S)-2-メチルブトキシ]スチルベン-4-イル]-1′,5′-ジヒドロ-2′H-[C60]フラーレノ[1,9-c]ピロール
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