Chem
J-GLOBAL ID：200907095111579580   Nikkaji number：J1.399.681D

1,1′,10,10′-[1-Methyl-2-[4′-[4-methyl-2,5-bis[(S)-2-methylbutoxy]styryl]-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-2,5-ビス[(S)-2-メチルブトキシ]スチリル]-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： C116H85NO6
Molecular formula furigana： C116-H85-N-O6
Molecular weight： 1588.957
InChI： InChI=1S/C116H85NO6/c1-15-38(7)31-118-50-26-45(51(25-44(50)13)119-32-39(8)16-2)21-22-46-27-53(121-34-41(10)18-4)47(28-52(46)120-33-40(9)17-3)23-24-48-29-55(123-36-43(12)20-6)49(30-54(48)122-35-42(11)19-5)114-116-112-106-100-90-78-70-62-58-56-57-60-64(62)72(78)82-76-68(60)69-61(57)65-63-59(56)67-66(58)74-80(70)88-94-84(74)85-75(67)81-71(63)79-73(65)83-77(69)87-86(76)98(92(82)100)108(112)109-99(87)93(83)101-91(79)97-89(81)95(85)103-102(94)110(104(106)96(88)90)115(116,37-117(114)14)111(103)105(97)107(101)113(109)116/h21-30,38-43,114H,15-20,31-37H2,1-14H3/t38-,39-,40-,41-,42-,43-,114?,115?,116?/m0/s1
InChI key： WFHSGZAALKGXGL-MSKVVXTFSA-N
SMILES： CC[C@H](C)COc1cc(C=Cc2cc(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%14c%13c%13c%12c%12c%15c%11c%11c9c9c4c4c8c8c%16c7c6c6c%16c7c%16c8c4c4c9c8c%11c%15c9c%11c%12c%13c%12c%14c6c6c%12c%11c%11c9c8c4c%16c%11c76)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-2,5-ビス[(S)-2-メチルブトキシ]スチリル]-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
  • 21-メチル-20-(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)-2,5-ビス[(2S)-2-メチルブトキシ]フェニル]エテニル}-2,5-ビス[(2S)-2-メチルブトキシ]フェニル)-21-アザドトリアコンタシクロ[8.7.46.02,6.03,27.04,34.05,61.07,63.08,17.09,14.011,57.012,55.013,49.015,48.016,19.018,26.019,23.023,47.024,45.025,29.028,33.030,44.031,42.032,36.035,60.037,41.038,59.039,56.040,53.043,52.046,51.050,54.058,62]トリヘキサコンタ-1(17),2(6),3(27),4(34),5(61),7,9(14),10,12(55),13(49),15,18(26),24,28,30(44),31(42),32,35,37,39(56),40,43(52),45,47,50,53,57,59,62-ノナコサエン
  • 21-methyl-20-(4-{2-[4-(2-{4-methyl-2,5-bis[(2S)-2-methylbutoxy]phenyl}ethenyl)-2,5-bis[(2S)-2-methylbutoxy]phenyl]ethenyl}-2,5-bis[(2S)-2-methylbutoxy]phenyl)-21-azadotriacontacyclo[8.7.46.02,6.03,27.04,34.05,61.07,63.08,17.09,14.011,57.012,55.013,49.015,48.016,19.018,26.019,23.023,47.024,45.025,29.028,33.030,44.031,42.032,36.035,60.037,41.038,59.039,56.040,53.043,52.046,51.050,54.058,62]trihexaconta-1(17),2(6),3(27),4(34),5(61),7,9(14),10,12(55),13(49),15,18(26),24,28,30(44),31(42),32,35,37,39(56),40,43(52),45,47,50,53,57,59,62-nonacosaene
Other name (2)：
  • 1,1′,10,10′-[1-Methyl-2-[4′-[4-methyl-2,5-bis[(S)-2-methylbutoxy]styryl]-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-2,5-ビス[(S)-2-メチルブトキシ]スチリル]-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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