ChemSpider 2D Image | Diazene, (4-methoxyphenyl)(19,20,22,23-tetrahydro-12H-7,11-metheno-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin-25-yl)-, (E)- | C31H30N2O6

Diazene, (4-methoxyphenyl)(19,20,22,23-tetrahydro-12H-7,11-metheno-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin-25-yl)-, (E)-

  • Molecular FormulaC31H30N2O6
  • Average mass526.580 Da
  • Monoisotopic mass526.210388 Da
  • ChemSpider ID112693

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-1-(4-Methoxyphenyl)-2-[3,10,13,16,23-pentaoxatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaen-29-yl]diazen [German] [ACD/IUPAC Name]
(E)-1-(4-Methoxyphenyl)-2-[3,10,13,16,23-pentaoxatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaen-29-yl]diazene [ACD/IUPAC Name]
(E)-1-(4-Méthoxyphényl)-2-[3,10,13,16,23-pentaoxatétracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaén-29-yl]diazène [French] [ACD/IUPAC Name]
Diazene, (4-methoxyphenyl)(19,20,22,23-tetrahydro-12H-7,11-metheno-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin-25-yl)-, (E)-
Diazene, 1-(4-methoxyphenyl)-2-(19,20,22,23-tetrahydro-12H-7,11-metheno-6H-dibenzo[b,k][1,4,7,10,13]pentaoxacycloeicosin-25-yl)-, (E)- [ACD/Index Name]
21-(4'-Methoxyphenylazo)-1,4,7,14,23-pentaoxa(7.2.2)orthometaorthobenzenophane
21-Mapb
98303-80-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 704.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 300.7±25.4 °C
Index of Refraction: 1.589
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18393.07
ACD/KOC (pH 5.5): 39284.96
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18393.07
ACD/KOC (pH 7.4): 39284.96
Polar Surface Area: 80 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 435.8±7.0 cm3

Click to predict properties on the Chemicalize site


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