Chem
J-GLOBAL ID：201407025301566347   Nikkaji number：J3.306.003C

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

2,2′-ビ[3-(4-ヘプチルフェニル)エチニル-5-(4-ヘキシルオキシフェニル)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： C66H74O2S2
Molecular formula furigana： C66-H74-O2-S2
Molecular weight： 963.440
InChI： InChI=1S/C66H74O2S2/c1-5-9-13-17-19-23-53-25-29-55(30-26-53)33-41-59-51-63(47-39-57-35-43-61(44-36-57)67-49-21-15-11-7-3)69-65(59)66-60(42-34-56-31-27-54(28-32-56)24-20-18-14-10-6-2)52-64(70-66)48-40-58-37-45-62(46-38-58)68-50-22-16-12-8-4/h25-32,35-38,43-46,51-52H,5-24,49-50H2,1-4H3
InChI key： HTDOMQVBNSAKLB-UHFFFAOYSA-N
SMILES： CCCCCCCc1ccc(cc1)C#Cc1cc(sc1c1sc(cc1C#Cc1ccc(CCCCCCC)cc1)C#Cc1ccc(OCCCCCC)cc1)C#Cc1ccc(OCCCCCC)cc1
Systematic name  (4)：
  • 3,3′-ビス(4-ヘプチルフェニルエチニル)-5,5′-ビス[4-(ヘキシルオキシ)フェニルエチニル]-2,2′-ビチオフェン
  • 2,2′-ビ[3-(4-ヘプチルフェニル)エチニル-5-(4-ヘキシルオキシフェニル)エチニルチオフェン]
  • 3,3'-ビス[2-(4-ヘプチルフェニル)エチニル]-5,5'-ビス({2-[4-(ヘキシルオキシ)フェニル]エチニル})-2,2'-ビチオフェン
  • 3,3'-bis[2-(4-heptylphenyl)ethynyl]-5,5'-bis({2-[4-(hexyloxy)phenyl]ethynyl})-2,2'-bithiophene
Other name (2)：
  • 3,3′-Bis(4-heptylphenylethynyl)-5,5′-bis[4-(hexyloxy)phenylethynyl]-2,2′-bithiophene
  • 2,2′-Bi[3-(4-heptylphenyl)ethynyl-5-(4-hexyloxyphenyl)ethynylthiophene]
Thsaurus map：
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