Chem
J-GLOBAL ID:200907001256557505   Nikkaji number:J2.261.662E

2,2′-[1,3-Phenylenebisoxybis(1,6-hexanediyloxy)bis(4,1-phenylene)]bis(5-octylpyrimidine)

2,2′-[1,3-フェニレンビスオキシビス(1,6-ヘキサンジイルオキシ)ビス(4,1-フェニレン)]ビス(5-オクチルピリミジン)
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: C54H74N4O4
Molecular formula furigana: C54-H74-N4-O4
Molecular weight: 843.210
InChI: InChI=1S/C54H74N4O4/c1-3-5-7-9-11-17-24-45-41-55-53(56-42-45)47-28-32-49(33-29-47)59-36-19-13-15-21-38-61-51-26-23-27-52(40-51)62-39-22-16-14-20-37-60-50-34-30-48(31-35-50)54-57-43-46(44-58-54)25-18-12-10-8-6-4-2/h23,26-35,40-44H,3-22,24-25,36-39H2,1-2H3
InChI key: VLKYERDNBSGGQM-UHFFFAOYSA-N
SMILES: CCCCCCCCc1cnc(nc1)c1ccc(OCCCCCCOc2cccc(OCCCCCCOc3ccc(cc3)c3ncc(CCCCCCCC)cn3)c2)cc1
Systematic name  (3):
  • 2,2′-[1,3-フェニレンビスオキシビス(1,6-ヘキサンジイルオキシ)ビス(4,1-フェニレン)]ビス(5-オクチルピリミジン)
  • 5-オクチル-2-[4-({6-[3-({6-[4-(5-オクチルピリミジン-2-イル)フェノキシ]ヘキシル}オキシ)フェノキシ]ヘキシル}オキシ)フェニル]ピリミジン
  • 5-octyl-2-[4-({6-[3-({6-[4-(5-octylpyrimidin-2-yl)phenoxy]hexyl}oxy)phenoxy]hexyl}oxy)phenyl]pyrimidine
Other name (1):
  • 2,2′-[1,3-Phenylenebisoxybis(1,6-hexanediyloxy)bis(4,1-phenylene)]bis(5-octylpyrimidine)
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