Chem
J-GLOBAL ID：200907001178493309   Nikkaji number：J1.140.535E

1,4-Bis[2,5-bis(dodecyloxy)-4-(2,2′:6′,2′′-terpyridine-4′-ylethynyl)phenylethynyl]-2,5-bis(dodecyloxy)benzene

1,4-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)フェニルエチニル]-2,5-ビス(ドデシルオキシ)ベンゼン
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： C128H176N6O6
Molecular formula furigana： C128-H176-N6-O6
Molecular weight： 1894.852
InChI： InChI=1S/C128H176N6O6/c1-7-13-19-25-31-37-43-49-55-69-91-135-123-103-111(125(137-93-71-57-51-45-39-33-27-21-15-9-3)101-109(123)81-79-107-97-119(115-75-61-65-87-129-115)133-120(98-107)116-76-62-66-88-130-116)83-85-113-105-128(140-96-74-60-54-48-42-36-30-24-18-12-6)114(106-127(113)139-95-73-59-53-47-41-35-29-23-17-11-5)86-84-112-104-124(136-92-70-56-50-44-38-32-26-20-14-8-2)110(102-126(112)138-94-72-58-52-46-40-34-28-22-16-10-4)82-80-108-99-121(117-77-63-67-89-131-117)134-122(100-108)118-78-64-68-90-132-118/h61-68,75-78,87-90,97-106H,7-60,69-74,91-96H2,1-6H3
InChI key： WJHNLZRFJQHKPH-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1cc(C#Cc2cc(OCCCCCCCCCCCC)c(cc2OCCCCCCCCCCCC)C#Cc2cc(OCCCCCCCCCCCC)c(cc2OCCCCCCCCCCCC)C#Cc2cc(nc(c2)c2ccccn2)c2ccccn2)c(OCCCCCCCCCCCC)cc1C#Cc1cc(nc(c1)c1ccccn1)c1ccccn1
Systematic name  (5)：
  • 1,4-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)フェニルエチニル]-2,5-ビス(ドデシルオキシ)ベンゼン
  • 1,4-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]エチニル]-2,5-ビス(ドデシルオキシ)ベンゼン
  • 4′,4′′′′-[2,5-ビス(ドデシルオキシ)-1,4-フェニレンビス[1,2-エチンジイル[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-(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]-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-(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]-2,5-bis(dodecyloxy)phenyl}ethynyl)-6-(pyridin-2-yl)-2,2'-bipyridine
Other name (3)：
  • 1,4-Bis[2,5-bis(dodecyloxy)-4-(2,2′:6′,2′′-terpyridine-4′-ylethynyl)phenylethynyl]-2,5-bis(dodecyloxy)benzene
  • 1,4-Bis[[2,5-bis(dodecyloxy)-4-[(2,2′:6′,2′′-terpyridine-4′-yl)ethynyl]phenyl]ethynyl]-2,5-bis(dodecyloxy)benzene
  • 4′,4′′′′-[2,5-Bis(dodecyloxy)-1,4-phenylenebis[1,2-ethynediyl[2,5-bis(dodecyloxy)-1,4-phenylene](1,2-ethynediyl)]]bis(2,2′:6′,2′′-terpyridine)
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