Chem
J-GLOBAL ID：201707007947573419   Nikkaji number：J3.621.839H

2,2′-Bi[3-[4-[(4-heptylphenyl)ethynyl]-3,6-diethylphenyl]ethynyl-5-[4-[(4-hexyloxyphenyl)ethynyl]-3,6-diethylphenyl]ethynylthiophene]

2,2′-ビ[3-[4-[(4-ヘプチルフェニル)エチニル]-3,6-ジエチルフェニル]エチニル-5-[4-[(4-ヘキシルオキシフェニル)エチニル]-3,6-ジエチルフェニル]エチニルチオフェン]
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： C114H122O2S2
Molecular formula furigana： C114-H122-O2-S2
Molecular weight： 1588.350
InChI： InChI=1S/C114H122O2S2/c1-13-25-29-33-35-39-85-41-45-87(46-42-85)49-57-99-75-95(21-9)103(79-91(99)17-5)61-63-107-83-111(71-65-105-81-93(19-7)101(77-97(105)23-11)59-51-89-53-67-109(68-54-89)115-73-37-31-27-15-3)117-113(107)114-108(64-62-104-80-92(18-6)100(76-96(104)22-10)58-50-88-47-43-86(44-48-88)40-36-34-30-26-14-2)84-112(118-114)72-66-106-82-94(20-8)102(78-98(106)24-12)60-52-90-55-69-110(70-56-90)116-74-38-32-28-16-4/h41-48,53-56,67-70,75-84H,13-40,73-74H2,1-12H3
InChI key： ZQMCIQHMNCTNAG-UHFFFAOYSA-N
SMILES： CCCCCCCc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(sc1c1sc(cc1C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(CCCCCCC)cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCCC)cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCCC)cc1
Systematic name  (4)：
  • 2,2′-ビ[3-[4-[(4-ヘプチルフェニル)エチニル]-3,6-ジエチルフェニル]エチニル-5-[4-[(4-ヘキシルオキシフェニル)エチニル]-3,6-ジエチルフェニル]エチニルチオフェン]
  • 3,3′-ビス[2,5-ジエチル-4-(4-ヘプチルフェニルエチニル)フェニルエチニル]-5,5′-ビス[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'-ビス(2-{2,5-ジエチル-4-[2-(4-ヘプチルフェニル)エチニル]フェニル}エチニル)-5,5'-ビス[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'-bis(2-{2,5-diethyl-4-[2-(4-heptylphenyl)ethynyl]phenyl}ethynyl)-5,5'-bis[2-(2,5-diethyl-4-{2-[4-(hexyloxy)phenyl]ethynyl}phenyl)ethynyl]-2,2'-bithiophene
Other name (2)：
  • 2,2′-Bi[3-[4-[(4-heptylphenyl)ethynyl]-3,6-diethylphenyl]ethynyl-5-[4-[(4-hexyloxyphenyl)ethynyl]-3,6-diethylphenyl]ethynylthiophene]
  • 3,3′-Bis[2,5-diethyl-4-(4-heptylphenylethynyl)phenylethynyl]-5,5′-bis[2,5-diethyl-4-[4-(hexyloxy)phenylethynyl]phenylethynyl]-2,2′-bithiophene
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