Chem
J-GLOBAL ID：200907013193542276   Nikkaji number：J1.350.319B

1-[(2,2′:6′,2′′-Terpyridine-4′-yl)ethynyl]-2,5-bis(dodecyloxy)-4-[[2,5-bis(dodecyloxy)-4-bromophenyl]ethynyl]benzene

1-[(2,2′:6′,2′′-テルピリジン-4′-イル)エチニル]-2,5-ビス(ドデシルオキシ)-4-[[2,5-ビス(ドデシルオキシ)-4-ブロモフェニル]エチニル]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： C79H114BrN3O4
Molecular formula furigana： C79-H114-BR-N3-O4
Molecular weight： 1249.702
InChI： InChI=1S/C79H114BrN3O4/c1-5-9-13-17-21-25-29-33-37-45-57-84-76-64-69(53-54-70-65-79(87-60-48-40-36-32-28-24-20-16-12-8-4)71(80)66-78(70)86-59-47-39-35-31-27-23-19-15-11-7-3)77(85-58-46-38-34-30-26-22-18-14-10-6-2)63-68(76)52-51-67-61-74(72-49-41-43-55-81-72)83-75(62-67)73-50-42-44-56-82-73/h41-44,49-50,55-56,61-66H,5-40,45-48,57-60H2,1-4H3
InChI key： OFTLCQPLOZCGCD-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1cc(C#Cc2cc(OCCCCCCCCCCCC)c(cc2OCCCCCCCCCCCC)C#Cc2cc(nc(c2)c2ccccn2)c2ccccn2)c(OCCCCCCCCCCCC)cc1Br
Systematic name  (3)：
  • 1-[(2,2′:6′,2′′-テルピリジン-4′-イル)エチニル]-2,5-ビス(ドデシルオキシ)-4-[[2,5-ビス(ドデシルオキシ)-4-ブロモフェニル]エチニル]ベンゼン
  • 4-[2-(4-{2-[4-ブロモ-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-bromo-2,5-bis(dodecyloxy)phenyl]ethynyl}-2,5-bis(dodecyloxy)phenyl)ethynyl]-6-(pyridin-2-yl)-2,2'-bipyridine
Other name (1)：
  • 1-[(2,2′:6′,2′′-Terpyridine-4′-yl)ethynyl]-2,5-bis(dodecyloxy)-4-[[2,5-bis(dodecyloxy)-4-bromophenyl]ethynyl]benzene
Thsaurus map：
Thesaurus Map

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