Chem
J-GLOBAL ID：201407021022140563   Nikkaji number：J3.296.138J

3,3′-Bis(4-propylphenylethynyl)5,5′-bis(4-heptylphenylethynyl)-2,2′-bithiophene

3,3′-ビス(4-プロピルフェニルエチニル)5,5′-ビス(4-ヘプチ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： C60H62S2
Molecular formula furigana： C60-H62-S2
Molecular weight： 847.280
InChI： InChI=1S/C60H62S2/c1-5-9-11-13-15-19-49-25-33-53(34-26-49)39-43-57-45-55(41-37-51-29-21-47(17-7-3)22-30-51)59(61-57)60-56(42-38-52-31-23-48(18-8-4)24-32-52)46-58(62-60)44-40-54-35-27-50(28-36-54)20-16-14-12-10-6-2/h21-36,45-46H,5-20H2,1-4H3
InChI key： FEBJEQJCMLDPLH-UHFFFAOYSA-N
SMILES： CCCCCCCc1ccc(cc1)C#Cc1cc(C#Cc2ccc(CCC)cc2)c(s1)c1sc(cc1C#Cc1ccc(CCC)cc1)C#Cc1ccc(CCCCCCC)cc1
Systematic name  (4)：
  • 3,3′-ビス(4-プロピルフェニルエチニル)5,5′-ビス(4-ヘプチルフェニルエチニル)-2,2′-ビチオフェン
  • 5,5′-ビス(4-ヘプチルフェニルエチニル)-3,3′-ビス(4-プロピルフェニルエチニル)-2,2′-ビチオフェン
  • 5,5'-ビス[2-(4-ヘプチルフェニル)エチニル]-3,3'-ビス[2-(4-プロピルフェニル)エチニル]-2,2'-ビチオフェン
  • 5,5'-bis[2-(4-heptylphenyl)ethynyl]-3,3'-bis[2-(4-propylphenyl)ethynyl]-2,2'-bithiophene
Other name (2)：
  • 3,3′-Bis(4-propylphenylethynyl)5,5′-bis(4-heptylphenylethynyl)-2,2′-bithiophene
  • 5,5′-Bis(4-heptylphenylethynyl)-3,3′-bis(4-propylphenylethynyl)-2,2′-bithiophene
Thsaurus map：
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