Chem
J-GLOBAL ID：200907081661254351   Nikkaji number：J1.872.067A

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

5,5′-[ビフェニレン-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： C40H44N4O4
Molecular formula furigana： C40-H44-N4-O4
Molecular weight： 644.816
InChI： InChI=1S/C40H44N4O4/c1-3-5-7-9-11-13-25-43-27-31(37(45)41-39(43)47)23-21-29-17-15-19-33-34-20-16-18-30(36(34)35(29)33)22-24-32-28-44(40(48)42-38(32)46)26-14-12-10-8-6-4-2/h15-20,27-28H,3-14,25-26H2,1-2H3,(H,41,45,47)(H,42,46,48)
InChI key： BGIOTBCDQTYNFC-UHFFFAOYSA-N
SMILES： CCCCCCCCn1cc(C#Cc2cccc3c4cccc(C#Cc5cn(CCCCCCCC)c(=O)[nH]c5=O)c4c23)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5,5′-[ビフェニレン-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]ビフェニレン-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]biphenylen-1-yl}ethynyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 5,5′-[Biphenylene-1,8-diylbis(ethyne-1,2-diyl)]bis[1-octylpyrimidine-2,4(1H,3H)-dione]
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