Chem
J-GLOBAL ID：200907051666756200   Nikkaji number：J1.140.534G

Bis[2,5-bis(dodecyloxy)-4-[(2,2′:6′,2′′-terpyridine-4′-yl)ethynyl]phenyl]ethyne

ビス[2,5-ビス(ドデシルオキシ)-4-[(2,2′:6′,2′′-テルピリジン-4′-イル)エチニル]フェニル]エチン
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： C96H124N6O4
Molecular formula furigana： C96-H124-N6-O4
Molecular weight： 1426.086
InChI： InChI=1S/C96H124N6O4/c1-5-9-13-17-21-25-29-33-37-49-67-103-93-77-83(95(105-69-51-39-35-31-27-23-19-15-11-7-3)75-81(93)59-57-79-71-89(85-53-41-45-63-97-85)101-90(72-79)86-54-42-46-64-98-86)61-62-84-78-94(104-68-50-38-34-30-26-22-18-14-10-6-2)82(76-96(84)106-70-52-40-36-32-28-24-20-16-12-8-4)60-58-80-73-91(87-55-43-47-65-99-87)102-92(74-80)88-56-44-48-66-100-88/h41-48,53-56,63-66,71-78H,5-40,49-52,67-70H2,1-4H3
InChI key： BZFHHXOEZQYIAI-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1cc(C#Cc2cc(OCCCCCCCCCCCC)c(cc2OCCCCCCCCCCCC)C#Cc2cc(nc(c2)c2ccccn2)c2ccccn2)c(OCCCCCCCCCCCC)cc1C#Cc1cc(nc(c1)c1ccccn1)c1ccccn1
Systematic name  (5)：
  • 1,2-ビス[2,5-ビス(ドデシルオキシ)-4-(2,2′:6′,2′′-テルピリジン-4′-イルエチニル)フェニル]エチン
  • ビス[2,5-ビス(ドデシルオキシ)-4-[(2,2′:6′,2′′-テルピリジン-4′-イル)エチニル]フェニル]エチン
  • 4′,4′′′′-[1,2-エチンジイルビス[2,5-ビス(ドデシルオキシ)-1,4-フェニレン(1,2-エチンジイル)]]ビス(2,2′:6′,2′′-テルピリジン)
  • 4-[2-(4-{2-[2,5-ビス(ドデシルオキシ)-4-{2-[6-(ピリジン-2-イル)-[2,2'-ビピリジン]-4-イル]エチニル}フェニル]エチニル}-2,5-ビス(ドデシルオキシ)フェニル)エチニル]-6-(ピリジン-2-イル)-2,2'-ビピリジン
  • 4-[2-(4-{2-[2,5-bis(dodecyloxy)-4-{2-[6-(pyridin-2-yl)-[2,2'-bipyridin]-4-yl]ethynyl}phenyl]ethynyl}-2,5-bis(dodecyloxy)phenyl)ethynyl]-6-(pyridin-2-yl)-2,2'-bipyridine
Other name (3)：
  • 1,2-Bis[2,5-bis(dodecyloxy)-4-(2,2′:6′,2′′-terpyridine-4′-ylethynyl)phenyl]ethyne
  • Bis[2,5-bis(dodecyloxy)-4-[(2,2′:6′,2′′-terpyridine-4′-yl)ethynyl]phenyl]ethyne
  • 4′,4′′′′-[1,2-Ethynediylbis[2,5-bis(dodecyloxy)-1,4-phenylene(1,2-ethynediyl)]]bis(2,2′:6′,2′′-terpyridine)
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