Chem
J-GLOBAL ID：201507012961456947   Nikkaji number：J3.417.991C

3,3′,5,5′-Tetrakis[2,5-diethyl-4-(4-pentylphenylethynyl)phenylethynyl]-2,2′-bithiophene

3,3′,5,5′-テトラキス[2,5-ジエチル-4-(4-ペンチルフェニルエチニル)フェニルエチニル]-2,2′-ビチオフェン
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： C108H110S2
Molecular formula furigana： C108-H110-S2
Molecular weight： 1472.190
InChI： InChI=1S/C108H110S2/c1-13-25-29-33-79-37-45-83(46-38-79)53-57-95-69-91(21-9)99(73-87(95)17-5)61-63-103-77-105(67-65-101-75-89(19-7)97(71-93(101)23-11)59-55-85-49-41-81(42-50-85)35-31-27-15-3)109-107(103)108-104(64-62-100-74-88(18-6)96(70-92(100)22-10)58-54-84-47-39-80(40-48-84)34-30-26-14-2)78-106(110-108)68-66-102-76-90(20-8)98(72-94(102)24-12)60-56-86-51-43-82(44-52-86)36-32-28-16-4/h37-52,69-78H,13-36H2,1-12H3
InChI key： FQGDLXARJDQRSX-UHFFFAOYSA-N
SMILES： CCCCCc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(C#Cc2cc(CC)c(cc2CC)C#Cc2ccc(CCCCC)cc2)c(s1)c1sc(cc1C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(CCCCC)cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(CCCCC)cc1
Systematic name  (3)：
  • 3,3′,5,5′-テトラキス[2,5-ジエチル-4-(4-ペンチルフェニルエチニル)フェニルエチニル]-2,2′-ビチオフェン
  • 3,3',5,5'-テトラキス(2-{2,5-ジエチル-4-[2-(4-ペンチルフェニル)エチニル]フェニル}エチニル)-2,2'-ビチオフェン
  • 3,3',5,5'-tetrakis(2-{2,5-diethyl-4-[2-(4-pentylphenyl)ethynyl]phenyl}ethynyl)-2,2'-bithiophene
Other name (1)：
  • 3,3′,5,5′-Tetrakis[2,5-diethyl-4-(4-pentylphenylethynyl)phenylethynyl]-2,2′-bithiophene
Thsaurus map：
Thesaurus Map

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