ChemSpider 2D Image | (1R,14S)-9,22-Dianilino-6,12,19,25-tetrakis(2-methyl-2-propanyl)-2,15-dioxaheptacyclo[21.3.1.1~1,4~.1~10,14~.1~14,17~.0~3,8~.0~16,21~]triaconta-3,5,7,10,12,16,18,20,23,25-decaene-27,29-dione | C56H62N2O4

(1R,14S)-9,22-Dianilino-6,12,19,25-tetrakis(2-methyl-2-propanyl)-2,15-dioxaheptacyclo[21.3.1.11,4.110,14.114,17.03,8.016,21]triaconta-3,5,7,10,12,16,18,20,23,25-decaene-27,29-dione

  • Molecular FormulaC56H62N2O4
  • Average mass827.102 Da
  • Monoisotopic mass826.470947 Da
  • ChemSpider ID9236988

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1R,14S)-9,22-Dianilino-6,12,19,25-tetrakis(2-methyl-2-propanyl)-2,15-dioxaheptacyclo[21.3.1.11,4.110,14.114,17.03,8.016,21]triaconta-3,5,7,10,12,16,18,20,23,25-decaen-27,29-dion [German] [ACD/IUPAC Name]
(1R,14S)-9,22-Dianilino-6,12,19,25-tetrakis(2-methyl-2-propanyl)-2,15-dioxaheptacyclo[21.3.1.11,4.110,14.114,17.03,8.016,21]triaconta-3,5,7,10,12,16,18,20,23,25-decaene-27,29-dione [ACD/IUPAC Name]
(1R,14S)-9,22-Dianilino-6,12,19,25-tétrakis(2-méthyl-2-propanyl)-2,15-dioxaheptacyclo[21.3.1.11,4.110,14.114,17.03,8.016,21]triaconta-3,5,7,10,12,16,18,20,23,25-décaène-27,29-dione [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 248.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 12.38
ACD/LogD (pH 5.5): 11.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 77 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 683.2±5.0 cm3

Click to predict properties on the Chemicalize site


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