5,5'-[1,4-Piperazinediylbis(3,1-Propanediylimino)]Bis(6H-[1,2,3]Triazolo[4,5,1-De]Acridin-6-One)

Molecule SVG Image

Properties Simple | Detailed

Formula C36H34N10O2
IUPAC Name 10-[3-[4-[3-[(8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
Molecular Mass 638.721 g·mol−1
Heat of Formation 644.2 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 729.3 Å 3
Surface Area 620.99 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C2
Synonyms
  • 6h-(1,2,3)triazolo(4,5,1-de)acridin-6-one, 5,5'-(1,4-piperazinediylbis(3,1-propanediylimino))bis-
  • 6h-[1,2,3]triazolo[4,5,1-de]acridin-6-one, 5,5'-[1,4-piperazinediylbis(3,1-propanediylimino)]bis-
  • temacrazine
  • wmc-70
CAS Number(s)
  • 197840-96-3
InChIKey BESDYXOPYOAWRZ-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N