Chem
J-GLOBAL ID：200907028971148707   Nikkaji number：J1.298.443J

1,1′,10,10′-[2-[4-(Δ2,2′-Bi[1,3-dithiol]-4-yl)-1,3-butadienyl]-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′-[4-(Δ2,2′-ビ[1,3-ジチオール]-4-イル)-1,3-ブタジエニル]-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： C73H13NS4
Molecular formula furigana： C73-H13-N-S4
Molecular weight： 1032.150
InChI： InChI=1S/C73H13NS4/c1-74-9-72-66-58-50-40-30-22-14-12-13-16-20-18(14)26-34-28(20)38-32-24(16)25-17(13)21-19-15(12)23(22)31-37-27(19)35-29(21)39-33(25)43-42(32)54-48(38)56-46(34)52(44(50)36(26)30)60(66)62(56)68-64(54)65-55(43)49(39)57-47(35)53-45(37)51(41(31)40)59(58)67(72)61(53)63(57)69(65)73(68,72)11(74)5-3-2-4-10-8-77-71(78-10)70-75-6-7-76-70/h2-8,11H,9H2,1H3
InChI key： IAIGDHMFULUJJF-UHFFFAOYSA-N
SMILES： CN1CC23c4c5c6c2c2c7c8c9c%10c(c%11c4c4c%12c5c5c%13c6c6c2c2c7c7c9c9c%14c%10c%10c%11c4c4c%11c%12c5c5c%12c%13c6c6c2c2c7c9c7c9c%14c%10c4c4c%11c5c5c%12c6c2c7c5c94)C38C1C=CC=CC1=CS/C(=C/2\SC=CS2)/S1
Systematic name  (3)：
  • 1,1′,10,10′-[2-[4-(Δ2,2′-ビ[1,3-ジチオール]-4-イル)-1,3-ブタジエニル]-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-{4-[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]ブタ-1,3-ジエン-1-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-{4-[2-(2H-1,3-dithiol-2-ylidene)-2H-1,3-dithiol-4-yl]buta-1,3-dien-1-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-[4-(Δ2,2′-Bi[1,3-dithiol]-4-yl)-1,3-butadienyl]-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′-[4-(Δ2,2′-ビ[1,3-ジチオール]-4-イル)-1,3-ブタジエニル]-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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