Chem
J-GLOBAL ID：200907071418759504   Nikkaji number：J1.872.069H

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

5,5′-[アントラセン-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： C42H46N4O4
Molecular formula furigana： C42-H46-N4-O4
Molecular weight： 670.854
InChI： InChI=1S/C42H46N4O4/c1-3-5-7-9-11-13-25-45-29-35(39(47)43-41(45)49)23-21-31-17-15-19-33-27-34-20-16-18-32(38(34)28-37(31)33)22-24-36-30-46(42(50)44-40(36)48)26-14-12-10-8-6-4-2/h15-20,27-30H,3-14,25-26H2,1-2H3,(H,43,47,49)(H,44,48,50)
InChI key： MYMITAMOAXDRPS-UHFFFAOYSA-N
SMILES： CCCCCCCCn1cc(C#Cc2cccc3cc4cccc(C#Cc5cn(CCCCCCCC)c(=O)[nH]c5=O)c4cc23)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5,5′-[アントラセン-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]アントラセン-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]anthracen-1-yl}ethynyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 5,5′-[Anthracene-1,8-diylbis(ethyne-1,2-diyl)]bis[1-octylpyrimidine-2,4(1H,3H)-dione]
Thsaurus map：
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