3,8-Diamino-5-{3-[Diethyl(Methyl)Ammonio]Propyl}-6-Phenylphenanthridinium

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Properties Simple | Detailed

Formula C27H35N4+
IUPAC Name 3-[(5s)-3,8-diamino-6-phenyl-phenanthridin-6-id-5-yl]propyl-diethyl-methyl-ammonium
Molecular Mass 415.594 g·mol−1
Heat of Formation 364.7 ± 16.7 kJ·mol−1
Dipole Moment 14.14 ± 1.08 D
Volume 523.18 Å 3
Surface Area 396.58 Å 2
HOMO Energy -5.57 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 3,8-diamino-5[3-(diethylmethylammonio)propyl]-6-phenylphenanthridinium
  • 3-(3,8-diamino-6-phenyl-5-phenanthridin-5-iumyl)propyl-diethyl-methylammonium
  • 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-azanium
  • 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium
  • 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium diiodide
  • bio1_000254
  • bio1_000743
  • bio1_001232
  • bio2_000359
  • bio2_000839
  • bpbio1_001018
  • cbiol_001968
  • prm
InChIKey ZDWVWKDAWBGPDN-UHFFFAOYSA-O
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Elements H C N