ChemSpider 2D Image | 5,11,17,23-Tetrakis(2-methyl-2-propanyl)-26,28-bis{[1-(1-pyrenylmethyl)-1H-1,2,3-triazol-4-yl]methoxy}pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23- dodecaene-25,27-diol | C84H82N6O4

5,11,17,23-Tetrakis(2-methyl-2-propanyl)-26,28-bis{[1-(1-pyrenylmethyl)-1H-1,2,3-triazol-4-yl]methoxy}pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23- dodecaene-25,27-diol

  • Molecular FormulaC84H82N6O4
  • Average mass1239.588 Da
  • Monoisotopic mass1238.639771 Da
  • ChemSpider ID30658778

More details:

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

5,11,17,23-Tetrakis(2-methyl-2-propanyl)-26,28-bis{[1-(1-pyrenylmethyl)-1H-1,2,3-triazol-4-yl]methoxy}pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23- dodecaen-25,27-diol [German] [ACD/IUPAC Name]
5,11,17,23-Tetrakis(2-methyl-2-propanyl)-26,28-bis{[1-(1-pyrenylmethyl)-1H-1,2,3-triazol-4-yl]methoxy}pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23- dodecaene-25,27-diol [ACD/IUPAC Name]
5,11,17,23-Tétrakis(2-méthyl-2-propanyl)-26,28-bis{[1-(1-pyrénylméthyl)-1H-1,2,3-triazol-4-yl]méthoxy}pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23- dodécaène-25,27-diol [French] [ACD/IUPAC Name]
Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol, 5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-bis[[1-(1-pyrenylmethyl)-1H-1,2,3-t riazol-4-yl]methoxy]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 376.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 20.99
ACD/LogD (pH 5.5): 19.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 120 Å2
Polarizability: 149.1±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 1009.7±7.0 cm3

Click to predict properties on the Chemicalize site


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