Chem
J-GLOBAL ID：200907041206253310   Nikkaji number：J1.872.065E

5,5′-[Naphthalene-1,8-diylbis(ethyne-1,2-diyl)]bis[1-octylpyrimidine-2,4(1H,3H)-dione]

5,5′-[ナフタレン-1,8-ジイルビス(エチン-1,2-ジイル)]ビス[1-オクチルピリミジン-2,4(1H,3H)-ジオン]
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： C38H44N4O4
Molecular formula furigana： C38-H44-N4-O4
Molecular weight： 620.794
InChI： InChI=1S/C38H44N4O4/c1-3-5-7-9-11-13-25-41-27-32(35(43)39-37(41)45)23-21-30-19-15-17-29-18-16-20-31(34(29)30)22-24-33-28-42(38(46)40-36(33)44)26-14-12-10-8-6-4-2/h15-20,27-28H,3-14,25-26H2,1-2H3,(H,39,43,45)(H,40,44,46)
InChI key： UXHWCCCHGWPDNX-UHFFFAOYSA-N
SMILES： CCCCCCCCn1cc(C#Cc2cccc3cccc(C#Cc4cn(CCCCCCCC)c(=O)[nH]c4=O)c23)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5,5′-[ナフタレン-1,8-ジイルビス(エチン-1,2-ジイル)]ビス[1-オクチルピリミジン-2,4(1H,3H)-ジオン]
  • 1-オクチル-5-(2-{8-[2-(1-オクチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-5-イル)エチニル]ナフタレン-1-イル}エチニル)-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-octyl-5-(2-{8-[2-(1-octyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethynyl]naphthalen-1-yl}ethynyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 5,5′-[Naphthalene-1,8-diylbis(ethyne-1,2-diyl)]bis[1-octylpyrimidine-2,4(1H,3H)-dione]
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