ChemSpider 2D Image | (4E,6E,14S,19Z,21Z,29S,30R)-1,16-Diazatetracyclo[27.3.1.1~12,16~.0~14,30~]tetratriaconta-4,6,12,19,21-pentaene | C32H50N2

(4E,6E,14S,19Z,21Z,29S,30R)-1,16-Diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,6,12,19,21-pentaene

  • Molecular FormulaC32H50N2
  • Average mass462.753 Da
  • Monoisotopic mass462.397400 Da
  • ChemSpider ID58130987

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4E,6E,14S,19Z,21Z,29S,30R)-1,16-Diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,6,12,19,21-pentaen [German] [ACD/IUPAC Name]
(4E,6E,14S,19Z,21Z,29S,30R)-1,16-Diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,6,12,19,21-pentaene [ACD/IUPAC Name]
(4E,6E,14S,19Z,21Z,29S,30R)-1,16-Diazatétracyclo[27.3.1.112,16.014,30]tétratriaconta-4,6,12,19,21-pentaène [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 604.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 268.1±19.3 °C
Index of Refraction: 1.565
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 10.32
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 256.58
ACD/KOC (pH 5.5): 127.02
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 8823.10
ACD/KOC (pH 7.4): 4367.79
Polar Surface Area: 6 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 457.4±5.0 cm3

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