1-Methyl-4-{[4-({4-[(1-Methyl-4-Pyridiniumyl)Amino]Phenyl}Carbamoyl)Phenyl]Amino}Quinolinium

Molecule SVG Image

Properties Simple | Detailed

Formula C29H27N5O++
IUPAC Name (z)-[(z)-1-ethynyl-3-isocyano-prop-2-enylidene]-[4-[[4-[(1-methyl-2h-quinolin-2-id-4-yl)amino]benzoyl]amino]phenyl]ammonium
Molecular Mass 461.558 g·mol−1
Heat of Formation 626.4 ± 16.7 kJ·mol−1
Dipole Moment 50.70 ± 1.08 D
Volume 553.16 Å 3
Surface Area 490.93 Å 2
HOMO Energy -4.58 ± 0.55 eV
LUMO Energy -2.95 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-4-[4-[4-(4-(1-methylquinolinium)amino)benzamido]anilino]pyridinium
  • n-[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]-4-[(1-methyl-4-quinolin-1-iumyl)amino]benzamide
  • n-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide
  • quinolinium, 1-methyl-4-((4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-
  • sn6
  • sn6999
InChIKey PMCURUPNDHFYCG-UHFFFAOYSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N