Chem
J-GLOBAL ID：201007037684578580   Nikkaji number：J2.829.357G

3′,4,4′′,4′′′-Tetrakis(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacene-4-yl)-2,2′:5′,2′′:5′′,2′′′-quaterthiophene

3′,4,4′′,4′′′-テトラキス(1,1,7,7-テトラエチル-3,3,5,5-テトラメチル-1,2,3,5,6,7-ヘキサヒドロ-s-インダセン-4-イル)-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
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： C112H154S4
Molecular formula furigana： C112-H154-S4
Molecular weight： 1628.700
InChI： InChI=1S/C112H154S4/c1-33-105(34-2)59-97(17,18)87-71(105)53-72-88(98(19,20)60-106(72,35-3)36-4)83(87)67-49-81(113-57-67)95-69(85-91-75(109(41-9,42-10)63-101(91,25)26)55-76-92(85)102(27,28)64-110(76,43-11)44-12)51-79(115-95)80-52-70(86-93-77(111(45-13,46-14)65-103(93,29)30)56-78-94(86)104(31,32)66-112(78,47-15)48-16)96(116-80)82-50-68(58-114-82)84-89-73(107(37-5,38-6)61-99(89,21)22)54-74-90(84)100(23,24)62-108(74,39-7)40-8/h49-58H,33-48,59-66H2,1-32H3
InChI key： RVOWRACVUHBHBJ-UHFFFAOYSA-N
SMILES： CCC1(CC)CC(C)(C)c2c1cc1c(c2c2csc(c2)c2sc(cc2c2c3c(cc4c2C(C)(C)CC4(CC)CC)C(CC)(CC)CC3(C)C)c2cc(c(s2)c2cc(cs2)c2c3c(cc4c2C(C)(C)CC4(CC)CC)C(CC)(CC)CC3(C)C)c2c3c(cc4c2C(C)(C)CC4(CC)CC)C(CC)(CC)CC3(C)C)C(C)(C)CC1(CC)CC
Systematic name  (4)：
  • 4,3′,4′′,4′′′-テトラキス(1,1,7,7-テトラエチル-3,3,5,5-テトラメチル-1,2,3,5,6,7-ヘキサヒドロ-s-インダセン-4-イル)-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
  • 3′,4,4′′,4′′′-テトラキス(1,1,7,7-テトラエチル-3,3,5,5-テトラメチル-1,2,3,5,6,7-ヘキサヒドロ-s-インダセン-4-イル)-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
  • 5-[3,4'-ビス(1,1,7,7-テトラエチル-3,3,5,5-テトラメチル-1,2,3,5,6,7-ヘキサヒドロ-s-インダセン-4-イル)-[2,2'-ビチオフェン]-5-イル]-3,4'-ビス(1,1,7,7-テトラエチル-3,3,5,5-テトラメチル-1,2,3,5,6,7-ヘキサヒドロ-s-インダセン-4-イル)-2,2'-ビチオフェン
  • 5-[3,4'-bis(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-[2,2'-bithiophen]-5-yl]-3,4'-bis(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2,2'-bithiophene
Other name (2)：
  • 4,3′,4′′,4′′′-Tetrakis(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacene-4-yl)-2,2′:5′,2′′:5′′,2′′′-quaterthiophene
  • 3′,4,4′′,4′′′-Tetrakis(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacene-4-yl)-2,2′:5′,2′′:5′′,2′′′-quaterthiophene
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