Chem
J-GLOBAL ID:200907048479403468   Nikkaji number:J2.258.475H

4,4′′′′-Dibromo-2,2′′′′,5,5′′′′-tetrafluoro-2′′,5′′-bis(octyloxy)-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′-quinquebenzene

4-ブロモ-4'-(4-{4'-ブロモ-2',5'-ジフルオロ-[1,1'-ビフェニル]-4-イル}-2,5-ビス(オクチルオキシ)フェニル)-2,5-ジフルオロ-1,1'-ビフェニル
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: C46H48Br2F4O2
Molecular formula furigana: C46-H48-BR2-F4-O2
Molecular weight: 868.690
InChI: InChI=1S/C46H48Br2F4O2/c1-3-5-7-9-11-13-23-53-45-27-38(34-21-17-32(18-22-34)36-26-44(52)40(48)30-42(36)50)46(54-24-14-12-10-8-6-4-2)28-37(45)33-19-15-31(16-20-33)35-25-43(51)39(47)29-41(35)49/h15-22,25-30H,3-14,23-24H2,1-2H3
InChI key: QTVZHZTXJXFHLU-UHFFFAOYSA-N
SMILES: CCCCCCCCOc1cc(c(OCCCCCCCC)cc1c1ccc(cc1)c1cc(F)c(Br)cc1F)c1ccc(cc1)c1cc(F)c(Br)cc1F
Systematic name  (3):
  • 4,4′′′′-ジブロモ-2,2′′′′,5,5′′′′-テトラフルオロ-2′′,5′′-ビス(オクチルオキシ)-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′-キンクエベンゼン
  • 4-ブロモ-4'-(4-{4'-ブロモ-2',5'-ジフルオロ-[1,1'-ビフェニル]-4-イル}-2,5-ビス(オクチルオキシ)フェニル)-2,5-ジフルオロ-1,1'-ビフェニル
  • 4-bromo-4'-(4-{4'-bromo-2',5'-difluoro-[1,1'-biphenyl]-4-yl}-2,5-bis(octyloxy)phenyl)-2,5-difluoro-1,1'-biphenyl
Other name (1):
  • 4,4′′′′-Dibromo-2,2′′′′,5,5′′′′-tetrafluoro-2′′,5′′-bis(octyloxy)-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′-quinquebenzene
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