Chem
J-GLOBAL ID：200907037165473915   Nikkaji number：J1.399.680F

1,1′,10,10′-[1-Methyl-2-[4′-methyl-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′-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]-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： C98H59NO4
Molecular formula furigana： C98-H59-N-O4
Molecular weight： 1314.553
InChI： InChI=1S/C98H59NO4/c1-11-26(5)21-100-34-18-31(35(17-30(34)9)101-22-27(6)12-2)15-16-32-19-37(103-24-29(8)14-4)33(20-36(32)102-23-28(7)13-3)96-98-94-88-82-72-60-52-44-40-38-39-42-46(44)54(60)64-58-50(42)51-43(39)47-45-41(38)49-48(40)56-62(52)70-76-66(56)67-57(49)63-53(45)61-55(47)65-59(51)69-68(58)80(74(64)82)90(94)91-81(69)75(65)83-73(61)79-71(63)77(67)85-84(76)92(86(88)78(70)72)97(98,25-99(96)10)93(85)87(79)89(83)95(91)98/h15-20,26-29,96H,11-14,21-25H2,1-10H3/t26-,27-,28-,29-,96?,97?,98?/m0/s1
InChI key： JLAYPYVNFNIJIQ-OLBNBPKKSA-N
SMILES： CC[C@H](C)COc1cc(C=Cc2cc(OC[C@@H](C)CC)c(cc2OC[C@@H](C)CC)C2N(C)CC34c5c6c7c3c3c8c9c%10c%11c(c%12c5c5c%13c%12c%12c%11c%11c%14c%10c%10c8c8c3c3c7c7c%15c6c5c5c%15c6c%15c7c3c3c8c7c%10c%14c8c%10c%11c%12c%11c%13c5c5c%11c%10c%10c8c7c3c%15c%10c65)C249)c(OC[C@@H](C)CC)cc1C
Systematic name  (3)：
  • 1,1′,10,10′-[1-メチル-2-[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]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-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]-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-methyl-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′-methyl-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′-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]-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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