5-(4-Biphenylyl)-5-[4-(4-Nitrophenyl)-1-Piperazinyl]-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Formula C26H23N5O5
IUPAC Name 5-[4-(4-nitrophenyl)piperazin-1-yl]-5-(4-phenylphenyl)hexahydropyrimidine-2,4,6-trione
Molecular Mass 485.491 g·mol−1
Heat of Formation -158.5 ± 16.7 kJ·mol−1
Dipole Moment 8.27 ± 1.08 D
Volume 544.88 Å 3
Surface Area 456.74 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[4-(4-nitrophenyl)-1-piperazinyl]-5-(4-phenylphenyl)hexahydropyrimidine-2,4,6-trione
  • 5-[4-(4-nitrophenyl)piperazin-1-yl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione
  • 5-[4-(4-nitrophenyl)piperazin-1-yl]-5-(4-phenylphenyl)barbituric acid
InChIKey NJKTYSXXGARILV-UHFFFAOYSA-N
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