1,3-Dibutyl-5-[(2E,4E)-5-(1,3-Dibutyl-6-Hydroxy-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)-2,4-Pentadien-1-Ylidene]-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C29H42N4O6
IUPAC Name 1,3-dibutyl-5-[(2e,4e)-5-(1,3-dibutyl-4-hydroxy-2,6-dioxo-pyrimidin-5-yl)penta-2,4-dienylidene]hexahydropyrimidine-2,4,6-trione
Molecular Mass 542.667 g·mol−1
Heat of Formation -1144.5 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 675.52 Å 3
Surface Area 606.42 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 1.40 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dibutyl-5-[(2e,4e)-5-(1,3-dibutyl-4-hydroxy-2,6-diketo-pyrimidin-5-yl)penta-2,4-dienylidene]barbituric acid
  • 1,3-dibutyl-5-[(2e,4e)-5-(1,3-dibutyl-4-hydroxy-2,6-dioxo-5-pyrimidinyl)penta-2,4-dienylidene]hexahydropyrimidine-2,4,6-trione
  • 1,3-dibutyl-5-[(2e,4e)-5-(1,3-dibutyl-4-hydroxy-2,6-dioxo-pyrimidin-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione
  • 1,3-dibutyl-5-[(2e,4e)-5-(1,3-dibutyl-4-hydroxy-2,6-dioxo-pyrimidin-5-yl)penta-2,4-dienylidene]hexahydropyrimidine-2,4,6-trione
  • 1,3-dibutyl-5-[(2e,4e)-5-(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione
  • 1,3-dibutyl-5-[5-(1,3-dibutyl-4-hydroxy-2,6-diketo-pyrimidin-5-yl)penta-2,4-dienylidene]barbituric acid
  • 1,3-dibutyl-5-[5-(1,3-dibutyl-4-hydroxy-2,6-dioxo-5-pyrimidinyl)penta-2,4-dienylidene]hexahydropyrimidine-2,4,6-trione
  • 1,3-dibutyl-5-[5-(1,3-dibutyl-4-hydroxy-2,6-dioxo-pyrimidin-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione
  • 1,3-dibutyl-5-[5-(1,3-dibutyl-4-hydroxy-2,6-dioxo-pyrimidin-5-yl)penta-2,4-dienylidene]hexahydropyrimidine-2,4,6-trione
  • 1,3-dibutyl-5-[5-(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione
  • bis(1,3-dibutylbarbituric acid)pentamethine oxonol
  • dibac4(5)
InChIKey CQAPPGVBCMJDML-WXUKJITCSA-N
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