ChemSpider 2D Image | 3,12,20,29-Tetraoxa-35,36-diazapentacyclo[29.3.1.1~14,18~.0~5,10~.0~22,27~]hexatriaconta-1(35),5,7,9,14(36),15,17,22,24,26,31,33-dodecaene | C30H30N2O4

3,12,20,29-Tetraoxa-35,36-diazapentacyclo[29.3.1.114,18.05,10.022,27]hexatriaconta-1(35),5,7,9,14(36),15,17,22,24,26,31,33-dodecaene

  • Molecular FormulaC30H30N2O4
  • Average mass482.570 Da
  • Monoisotopic mass482.220551 Da
  • ChemSpider ID21122310

More details:

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

13H,28H-8,12:27,23-Dinitrilo-7H,22H-dibenzo[c,p][1,6,14,19]tetraoxacyclohexacosin, 5,15,20,30-tetrahydro- [ACD/Index Name]
3,12,20,29-Tetraoxa-35,36-diazapentacyclo[29.3.1.114,18.05,10.022,27]hexatriaconta-1(35),5,7,9,14(36),15,17,22,24,26,31,33-dodecaen [German] [ACD/IUPAC Name]
3,12,20,29-Tetraoxa-35,36-diazapentacyclo[29.3.1.114,18.05,10.022,27]hexatriaconta-1(35),5,7,9,14(36),15,17,22,24,26,31,33-dodecaene [ACD/IUPAC Name]
3,12,20,29-Tétraoxa-35,36-diazapentacyclo[29.3.1.114,18.05,10.022,27]hexatriaconta-1(35),5,7,9,14(36),15,17,22,24,26,31,33-dodécaène [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 690.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 233.9±20.4 °C
Index of Refraction: 1.563
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3826.77
ACD/KOC (pH 5.5): 12741.59
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3856.31
ACD/KOC (pH 7.4): 12839.97
Polar Surface Area: 63 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 424.6±3.0 cm3

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