4-(5,7,7,10,10-Pentamethyl-7,8,9,10-Tetrahydro-5H-Benzo[B]Naphtho[2,3-E][1,4]Diazepin-12-Yl)Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C29H30N2O2
IUPAC Name 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
Molecular Mass 438.561 g·mol−1
Heat of Formation -118.1 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 549.57 Å 3
Surface Area 436.17 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(5h-2,3-(2,5-dimethyl-2,5-hexano)-5-methyldibenzo(b,e)(1,4)-diazepin-11-yl)benzoic acid
  • 4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-5h-benzo(b)naphtho(2,3-e)(1,4)diazepin-12-yl)benzoic acid
  • benzoic acid, 4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-5h-benzo(b)naphtho(2,3-e)(1,4)diazepin-12-yl)-
  • hx 600
  • hx-600
CAS Number(s)
  • 172705-89-4
InChIKey DLFBCHSYAZBTSS-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N