Chem
J-GLOBAL ID：200907088345490110   Nikkaji number：J2.244.566I

3,3′-Bis[4′-(octyloxy)-4-biphenylyl]-5,5′-dibromo-2,2′-bithiophene

3,3′-ビス[4′-(オクチルオキシ)-4-ビフェニリル]-5,5′-ジブロモ-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： C48H52Br2O2S2
Molecular formula furigana： C48-H52-BR2-O2-S2
Molecular weight： 884.870
InChI： InChI=1S/C48H52Br2O2S2/c1-3-5-7-9-11-13-31-51-41-27-23-37(24-28-41)35-15-19-39(20-16-35)43-33-45(49)53-47(43)48-44(34-46(50)54-48)40-21-17-36(18-22-40)38-25-29-42(30-26-38)52-32-14-12-10-8-6-4-2/h15-30,33-34H,3-14,31-32H2,1-2H3
InChI key： HSDNVFFKRSASGV-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1ccc(cc1)c1ccc(cc1)c1cc(Br)sc1c1sc(Br)cc1c1ccc(cc1)c1ccc(OCCCCCCCC)cc1
Systematic name  (3)：
  • 3,3′-ビス[4′-(オクチルオキシ)-4-ビフェニリル]-5,5′-ジブロモ-2,2′-ビチオフェン
  • 5,5'-ジブロモ-3,3'-ビス[4'-(オクチルオキシ)-[1,1'-ビフェニル]-4-イル]-2,2'-ビチオフェン
  • 5,5'-dibromo-3,3'-bis[4'-(octyloxy)-[1,1'-biphenyl]-4-yl]-2,2'-bithiophene
Other name (1)：
  • 3,3′-Bis[4′-(octyloxy)-4-biphenylyl]-5,5′-dibromo-2,2′-bithiophene
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