5,5'-[(1E)-1-Propen-1-Yl-3-Ylidene]Bis(1,3-Dibutyl-2,4,6(1H,3H,5H)-Pyrimidinetrione)

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Properties Simple | Detailed

Formula C25H24N4O6
IUPAC Name n1-buta-1,3-diynyl-n1-but-1-ynyl-n1-(hydroxymethyl)-n5,n5-bis(prop-1-ynyl)pent-2-yne-1,1,5,5-tetracarboxamide; formaldehyde
Molecular Mass 476.481 g·mol−1
Heat of Formation -1214.2 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 644.11 Å 3
Surface Area 569.96 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy 1.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dibutyl-5-[(e)-3-(1,3-dibutyl-2,4,6-triketo-hexahydropyrimidin-5-yl)prop-2-enylidene]barbituric acid
  • 1,3-dibutyl-5-[(e)-3-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
  • 1,3-dibutyl-5-[(e)-3-(1,3-dibutyl-2,4,6-trioxo-5-hexahydropyrimidinyl)prop-2-enylidene]hexahydropyrimidine-2,4,6-trione
  • 1,3-dibutyl-5-[(e)-3-(1,3-dibutyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)prop-2-enylidene]hexahydropyrimidine-2,4,6-trione
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 1,3-dibutyl-5-(3-(1,3-dibutylhexahydro-2,4,6-trioxo-5-pyrimidinyl)-2-propenylidene)-
  • bis(1,3-dibutylbarbiturate)trimethine oxonol
  • bis(1,3-dibutylbarbituric acid)trimethyne oxonol
  • di-ba-c4
  • dibac4
CAS Number(s)
  • 110425-49-5
InChIKey ATJCYSYHWGQAET-BUHFOSPRSA-N
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