Chem
J-GLOBAL ID：200907012419610656   Nikkaji number：J1.140.533I

1,4-Bis[2,5-bis(dodecyloxy)-4-(2,2′:6′,2′′-terpyridine-4′-ylethynyl)phenyl]-1,3-butadiyne

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]-1,3-ブタジイン
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： C98H124N6O4
Molecular formula furigana： C98-H124-N6-O4
Molecular weight： 1450.108
InChI： InChI=1S/C98H124N6O4/c1-5-9-13-17-21-25-29-33-37-51-69-105-95-79-85(63-61-81-73-91(87-57-43-47-65-99-87)103-92(74-81)88-58-44-48-66-100-88)97(107-71-53-39-35-31-27-23-19-15-11-7-3)77-83(95)55-41-42-56-84-78-98(108-72-54-40-36-32-28-24-20-16-12-8-4)86(80-96(84)106-70-52-38-34-30-26-22-18-14-10-6-2)64-62-82-75-93(89-59-45-49-67-101-89)104-94(76-82)90-60-46-50-68-102-90/h43-50,57-60,65-68,73-80H,5-40,51-54,69-72H2,1-4H3
InChI key： MHUOSKLYHKKNMT-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1cc(C#Cc2cc(nc(c2)c2ccccn2)c2ccccn2)c(OCCCCCCCCCCCC)cc1C#CC#Cc1cc(OCCCCCCCCCCCC)c(cc1OCCCCCCCCCCCC)C#Cc1cc(nc(c1)c1ccccn1)c1ccccn1
Systematic name  (4)：
  • 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]-1,3-ブタジイン
  • 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]-1,3-ブタジイン
  • 4-[2-(4-{4-[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]ブタ-1,3-ジイン-1-イル}-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-{4-[2,5-bis(dodecyloxy)-4-{2-[6-(pyridin-2-yl)-[2,2'-bipyridin]-4-yl]ethynyl}phenyl]buta-1,3-diyn-1-yl}-2,5-bis(dodecyloxy)phenyl)ethynyl]-6-(pyridin-2-yl)-2,2'-bipyridine
Other name (2)：
  • 1,4-Bis[2,5-bis(dodecyloxy)-4-(2,2′:6′,2′′-terpyridine-4′-ylethynyl)phenyl]-1,3-butadiyne
  • 1,4-Bis[2,5-bis(dodecyloxy)-4-[(2,2′:6′,2′′-terpyridine-4′-yl)ethynyl]phenyl]-1,3-butadiyne
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