Chem
J-GLOBAL ID：201607015200527685   Nikkaji number：J3.460.219K

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

3,3′,5,5′-テトラキス[2,5-ジエチル-4-(4-ヘキシ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： C112H118O4S2
Molecular formula furigana： C112-H118-O4-S2
Molecular weight： 1592.290
InChI： InChI=1S/C112H118O4S2/c1-13-25-29-33-69-113-105-59-41-83(42-60-105)37-49-95-73-91(21-9)99(77-87(95)17-5)53-55-103-81-109(67-57-101-79-89(19-7)97(75-93(101)23-11)51-39-85-45-63-107(64-46-85)115-71-35-31-27-15-3)117-111(103)112-104(56-54-100-78-88(18-6)96(74-92(100)22-10)50-38-84-43-61-106(62-44-84)114-70-34-30-26-14-2)82-110(118-112)68-58-102-80-90(20-8)98(76-94(102)24-12)52-40-86-47-65-108(66-48-86)116-72-36-32-28-16-4/h41-48,59-66,73-82H,13-36,69-72H2,1-12H3
InChI key： XUZBGZWLEZOCPK-UHFFFAOYSA-N
SMILES： CCCCCCOc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(C#Cc2cc(CC)c(cc2CC)C#Cc2ccc(OCCCCCC)cc2)c(s1)c1sc(cc1C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCCC)cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCCC)cc1
Systematic name  (4)：
  • 3,3′,5,5′-テトラキス[2,5-ジエチル-4-(4-ヘキシ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-(ヘキシルオキシ)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-(ヘキシルオキシ)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-(hexyloxy)phenyl]ethynyl}phenyl)ethynyl]-2,2'-bithiophene
Other name (2)：
  • 3,3′,5,5′-Tetrakis[2,5-diethyl-4-(4-hexyloxyphenylethynyl)phenylethynyl]-2,2′-bithiophene
  • 3,3′,5,5′-Tetrakis[2,5-diethyl-4-[4-(hexyloxy)phenylethynyl]phenylethynyl]-2,2′-bithiophene
Thsaurus map：
Thesaurus Map

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