Found 4 results

Search term: MF = 'C_{37}H_{30}N_{4}'
ChemSpider 2D Image | (16aZ,21E)-18,19,20,27-Tetrahydro-11H-dicyclohepta[b,i]dinaphtho[2,1-l:1',2'-n][1,4,8,11]tetraazacyclopentadecine | C37H30N4

(16aZ,21E)-18,19,20,27-Tetrahydro-11H-dicyclohepta[b,i]dinaphtho[2,1-l:1',2'-n][1,4,8,11]tetraazacyclopentadecine

  • Molecular FormulaC37H30N4
  • Average mass530.661 Da
  • Monoisotopic mass530.247070 Da
  • ChemSpider ID9148658

  • Double-bond stereo - Double-bond stereo

More details:

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

(16aZ,21E)-18,19,20,27-Tetrahydro-11H-dicyclohepta[b,i]dinaphtho[2,1-l:1',2'-n][1,4,8,11]tetraazacyclopentadecin [German] [ACD/IUPAC Name]
(16aZ,21E)-18,19,20,27-Tetrahydro-11H-dicyclohepta[b,i]dinaphtho[2,1-l:1',2'-n][1,4,8,11]tetraazacyclopentadecine [ACD/IUPAC Name]
(16aZ,21E)-18,19,20,27-Tétrahydro-11H-dicyclohepta[b,i]dinaphto[2,1-l:1',2'-n][1,4,8,11]tétraazacyclopentadécine [French] [ACD/IUPAC Name]
11H-Dicyclohepta[b,i]dinaphtho[2,1-l:1',2'-n][1,4,8,11]tetraazacyclopentadecine, 18,19,20,27-tetrahydro-, (16aZ,21E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 830.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 456.1±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 167.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 25.97
ACD/KOC (pH 5.5): 52.89
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 1480.96
ACD/KOC (pH 7.4): 3016.77
Polar Surface Area: 49 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 446.5±7.0 cm3

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