ChemSpider 2D Image | 5,5'-[(Methylimino)bis(3,1-propanediylimino)]bis(6H-imidazo[4,5,1-de]acridin-6-one) | C35H31N7O2

5,5'-[(Methylimino)bis(3,1-propanediylimino)]bis(6H-imidazo[4,5,1-de]acridin-6-one)

  • Molecular FormulaC35H31N7O2
  • Average mass581.666 Da
  • Monoisotopic mass581.253906 Da
  • ChemSpider ID402962

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5,5'-[(Methylimino)bis(3,1-propandiylimino)]bis(6H-imidazo[4,5,1-de]acridin-6-on) [German] [ACD/IUPAC Name]
5,5'-[(Methylimino)bis(3,1-propanediylimino)]bis(6H-imidazo[4,5,1-de]acridin-6-one) [ACD/IUPAC Name]
5,5'-[(Méthylimino)bis(3,1-propanediylimino)]bis(6H-imidazo[4,5,1-de]acridin-6-one) [French] [ACD/IUPAC Name]
5,5'-[(methylimino)bis(propane-3,1-diylimino)]bis(6H-imidazo[4,5,1-de]acridin-6-one)
6H-Imidazo[4,5,1-de]acridin-6-one, 5,5'-[(methylimino)bis(3,1-propanediylimino)]bis- [ACD/Index Name]
164672-54-2 [RN]
5-{3-methyl[3-(6-oxo-6H-imidazo[4,5,1-de]acridin-5-ylamino)propyl]aminopropylamino}-6H-imidazo[4,5,1-de]acridin-6-one
6H-IMIDAZO[4,5,1-DE]ACRIDIN-6-ONE,5,5'-[(METHYLIMINO)BIS(3,1-PROPANEDIYLIMINO)]BIS- (9CI)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL320415/
WMC 26

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS013183 [DBID]
AIDS-013183 [DBID]
NSC 682401 [DBID]
NSC682401 [DBID]
WMC-26 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 880.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 486.2±37.1 °C
Index of Refraction: 1.758
Molar Refractivity: 169.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 5.60
ACD/KOC (pH 5.5): 16.32
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 67.63
ACD/KOC (pH 7.4): 197.09
Polar Surface Area: 97 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 411.7±7.0 cm3

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