Chem
J-GLOBAL ID：200907083725847532   Nikkaji number：J1.872.068J

4,4′-[Biphenylene-1,8-diylbis(ethyne-1,2-diyl)]bis[2,6-bis(pentanoylamino)pyridine]

4,4′-[ビフェニレン-1,8-ジイルビス(エチン-1,2-ジイル)]ビス[2,6-ビス(ペンタノイルアミノ)ピリジン]
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： C46H50N6O4
Molecular formula furigana： C46-H50-N6-O4
Molecular weight： 750.944
InChI： InChI=1S/C46H50N6O4/c1-5-9-19-41(53)49-37-27-31(28-38(47-37)50-42(54)20-10-6-2)23-25-33-15-13-17-35-36-18-14-16-34(46(36)45(33)35)26-24-32-29-39(51-43(55)21-11-7-3)48-40(30-32)52-44(56)22-12-8-4/h13-18,27-30H,5-12,19-22H2,1-4H3,(H2,47,49,50,53,54)(H2,48,51,52,55,56)
InChI key： LHMSUHOEECPQJB-UHFFFAOYSA-N
SMILES： CCCCC(=O)Nc1cc(cc(NC(=O)CCCC)n1)C#Cc1cccc2c3cccc(C#Cc4cc(NC(=O)CCCC)nc(NC(=O)CCCC)c4)c3c12
Systematic name  (3)：
  • 4,4′-[ビフェニレン-1,8-ジイルビス(エチン-1,2-ジイル)]ビス[2,6-ビス(ペンタノイルアミノ)ピリジン]
  • N-[4-(2-{8-[2-(2,6-ジペンタンアミドピリジン-4-イル)エチニル]ビフェニレン-1-イル}エチニル)-6-ペンタンアミドピリジン-2-イル]ペンタンアミド
  • N-[4-(2-{8-[2-(2,6-dipentanamidopyridin-4-yl)ethynyl]biphenylen-1-yl}ethynyl)-6-pentanamidopyridin-2-yl]pentanamide
Other name (1)：
  • 4,4′-[Biphenylene-1,8-diylbis(ethyne-1,2-diyl)]bis[2,6-bis(pentanoylamino)pyridine]
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