Chem
J-GLOBAL ID：201607018360333282   Nikkaji number：J3.460.216F

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

3,3′,5,5′-テトラキス[2,5-ジエチル-4-(4-オクチルオキシフェニルエチニル)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： C120H134O4S2
Molecular formula furigana： C120-H134-O4-S2
Molecular weight： 1704.510
InChI： InChI=1S/C120H134O4S2/c1-13-25-29-33-37-41-77-121-113-67-49-91(50-68-113)45-57-103-81-99(21-9)107(85-95(103)17-5)61-63-111-89-117(75-65-109-87-97(19-7)105(83-101(109)23-11)59-47-93-53-71-115(72-54-93)123-79-43-39-35-31-27-15-3)125-119(111)120-112(64-62-108-86-96(18-6)104(82-100(108)22-10)58-46-92-51-69-114(70-52-92)122-78-42-38-34-30-26-14-2)90-118(126-120)76-66-110-88-98(20-8)106(84-102(110)24-12)60-48-94-55-73-116(74-56-94)124-80-44-40-36-32-28-16-4/h49-56,67-74,81-90H,13-44,77-80H2,1-12H3
InChI key： NSGPGIVGYURCMP-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(C#Cc2cc(CC)c(cc2CC)C#Cc2ccc(OCCCCCCCC)cc2)c(s1)c1sc(cc1C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCCCCC)cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCCCCC)cc1
Systematic name  (4)：
  • 3,3′,5,5′-テトラキス[2,5-ジエチル-4-(4-オクチルオキシフェニルエチニル)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[2,5-ジエチル-4-[4-(オクチルオキシ)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-(オクチルオキシ)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-(octyloxy)phenyl]ethynyl}phenyl)ethynyl]-2,2'-bithiophene
Other name (2)：
  • 3,3′,5,5′-Tetrakis[2,5-diethyl-4-(4-octyloxyphenylethynyl)phenylethynyl]-2,2′-bithiophene
  • 3,3′,5,5′-Tetrakis[2,5-diethyl-4-[4-(octyloxy)phenylethynyl]phenylethynyl]-2,2′-bithiophene
Thsaurus map：
Thesaurus Map

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