Chem
J-GLOBAL ID：201807008671592213   Nikkaji number：J3.694.860D

3,3′,5,5′-Tetrakis[2,5-diethyl-4-[4-(pentyloxy)phenylethynyl]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： C108H110O4S2
Molecular formula furigana： C108-H110-O4-S2
Molecular weight： 1536.180
InChI： InChI=1S/C108H110O4S2/c1-13-25-29-65-109-101-55-37-79(38-56-101)33-45-91-69-87(21-9)95(73-83(91)17-5)49-51-99-77-105(63-53-97-75-85(19-7)93(71-89(97)23-11)47-35-81-41-59-103(60-42-81)111-67-31-27-15-3)113-107(99)108-100(52-50-96-74-84(18-6)92(70-88(96)22-10)46-34-80-39-57-102(58-40-80)110-66-30-26-14-2)78-106(114-108)64-54-98-76-86(20-8)94(72-90(98)24-12)48-36-82-43-61-104(62-44-82)112-68-32-28-16-4/h37-44,55-62,69-78H,13-32,65-68H2,1-12H3
InChI key： GIUCRXAFSLHTIL-UHFFFAOYSA-N
SMILES： CCCCCOc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(C#Cc2cc(CC)c(cc2CC)C#Cc2ccc(OCCCCC)cc2)c(s1)c1sc(cc1C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCC)cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCC)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-(ペンチルオキシ)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-(pentyloxy)phenyl]ethynyl}phenyl)ethynyl]-2,2'-bithiophene
Other name (1)：
  • 3,3′,5,5′-Tetrakis[2,5-diethyl-4-[4-(pentyloxy)phenylethynyl]phenylethynyl]-2,2′-bithiophene
Thsaurus map：
Thesaurus Map

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