Chem
J-GLOBAL ID：200907099204496486   Nikkaji number：J1.298.441C

1,1′,10,10′-[2-(Δ2,2′-Bi[1,3-dithiol]-4-yl)-1-methylpyrrolidine-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

2′-(Δ2,2′-ビ[1,3-ジチオール]-4-イル)-1′-メチル-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： C69H9NS4
Molecular formula furigana： C69-H9-N-S4
Molecular weight： 980.080
InChI： InChI=1S/C69H9NS4/c1-70-5-68-61-53-45-35-25-17-9-7-8-11-15-13(9)21-29-23(15)33-27-19(11)20-12(8)16-14-10(7)18(17)26-32-22(14)30-24(16)34-28(20)38-37(27)49-43(33)51-41(29)47(39(45)31(21)25)55(61)57(51)63-59(49)60-50(38)44(34)52-42(30)48-40(32)46(36(26)35)54(53)62(68)56(48)58(52)64(60)69(63,68)65(70)6-4-73-67(74-6)66-71-2-3-72-66/h2-4,65H,5H2,1H3
InChI key： AJEPSLUSIUXODQ-UHFFFAOYSA-N
SMILES： CN1CC23c4c5c6c2c2c7c8c9c%10c(c%11c4c4c%12c5c5c%13c6c6c2c2c7c7c9c9c%14c%10c%10c%11c4c4c%11c%12c5c5c%12c%13c6c6c2c2c7c9c7c9c%14c%10c4c4c%11c5c5c%12c6c2c7c5c94)C38C1C1=CS/C(=C\2/SC=CS2)/S1
Systematic name  (3)：
  • 1,1′,10,10′-[2-(Δ2,2′-ビ[1,3-ジチオール]-4-イル)-1-メチルピロリジン-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
  • 37-[2-(2H-1,3-ジチオール-2-イリデン)-2H-1,3-ジチオール-4-イル]-36-メチル-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
  • 37-[2-(2H-1,3-dithiol-2-ylidene)-2H-1,3-dithiol-4-yl]-36-methyl-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′-[2-(Δ2,2′-Bi[1,3-dithiol]-4-yl)-1-methylpyrrolidine-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
  • 2′-(Δ2,2′-ビ[1,3-ジチオール]-4-イル)-1′-メチル-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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