N-{5-[(2-{[4-(9-Acridinylamino)Phenyl]Amino}-2-Oxoethyl)Carbamoyl]-1-Methyl-1H-Pyrrol-3-Yl}-4-Amino-1-Methyl-1H-Pyrrole-2-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C33H30N8O3
IUPAC Name n-[5-[[2-[4-(acridin-9-ylamino)anilino]-2-oxo-ethyl]carbamoyl]-1-methyl-pyrrol-1-ium-5-ylium-3-yl]-4-amino-1-methyl-pyrrol-1-ium-2-ylium-2-carboxamide
Molecular Mass 586.643 g·mol−1
Heat of Formation 171.7 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 680.19 Å 3
Surface Area 597.02 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-2-carboxamide, n-(5-(((2-((4-(9-acridinylamino)phenyl)amino)-2-oxoethyl)amino)carbonyl)-1-methyl-1h-pyrrol-3-yl)-4-amino-1-methyl-
  • 4-(9-acridinylamino)-n-(4-(((4-amino-1-methylpyrrol-2-yl)carbonyl)amino)-1-methylpyrrol-2-carbonyl)glycylaniline
  • n-[2-[[4-(9-acridinylamino)phenyl]amino]-2-oxoethyl]-4-[[(4-amino-1-methyl-2-pyrrolyl)-oxomethyl]amino]-1-methyl-2-pyrrolecarboxamide
  • n-[2-[[4-(acridin-9-ylamino)phenyl]amino]-2-keto-ethyl]-4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carboxamide
  • n-[2-[[4-(acridin-9-ylamino)phenyl]amino]-2-oxo-ethyl]-4-[(4-amino-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrole-2-carboxamide
  • n-[2-[[4-(acridin-9-ylamino)phenyl]amino]-2-oxo-ethyl]-4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carboxamide
  • n-[2-[[4-(acridin-9-ylamino)phenyl]amino]-2-oxoethyl]-4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxamide
  • net ga
  • netga
  • netropsin-acridine hybrid ligand
CAS Number(s)
  • 121613-16-9
InChIKey SAXKATHEPMBODZ-UHFFFAOYSA-N
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