Chem
J-GLOBAL ID：201107068219748134   Nikkaji number：J2.920.161G

3,4′′′-Bis(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′′′-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′: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： C64H82S4
Molecular formula furigana： C64-H82-S4
Molecular weight： 979.600
InChI： InChI=1S/C64H82S4/c1-17-61(18-2)35-57(9,10)52-41(61)32-42-53(58(11,12)36-62(42,19-3)20-4)50(52)39-31-49(66-34-39)47-26-25-45(67-47)46-27-28-48(68-46)56-40(29-30-65-56)51-54-43(63(21-5,22-6)37-59(54,13)14)33-44-55(51)60(15,16)38-64(44,23-7)24-8/h25-34H,17-24,35-38H2,1-16H3
InChI key： UQMNFYCDVCSCMV-UHFFFAOYSA-N
SMILES： CCC1(CC)CC(C)(C)c2c1cc1c(c2c2csc(c2)c2ccc(s2)c2ccc(s2)c2sccc2c2c3c(cc4c2C(C)(C)CC4(CC)CC)C(CC)(CC)CC3(C)C)C(C)(C)CC1(CC)CC
Systematic name  (3)：
  • 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′:5′,2′′:5′′,2′′′-クアテルチオフェン
  • 4-(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)-5'-[3'-(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]-2,2'-ビチオフェン
  • 4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5'-[3'-(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]-2,2'-bithiophene
Other name (1)：
  • 3,4′′′-Bis(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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