ChemSpider 2D Image | 43,44,45,46,47,48-Hexamethoxy-13,27,41-trimethyl-2,10,16,24,30,38-hexaazaheptacyclo[37.3.1.1~4,8~.1~11,15~.1~18,22~.1~25,29~.1~32,36~]octatetraconta-1(43),4(48),5,7,11(47),12,14,18(46),19,21,25(45),26 ,28,32(44),33,35,39,41-octadecaene-3,9,17,23,31,37-hexone | C51H48N6O12

43,44,45,46,47,48-Hexamethoxy-13,27,41-trimethyl-2,10,16,24,30,38-hexaazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),4(48),5,7,11(47),12,14,18(46),19,21,25(45),26 ,28,32(44),33,35,39,41-octadecaene-3,9,17,23,31,37-hexone

  • Molecular FormulaC51H48N6O12
  • Average mass936.960 Da
  • Monoisotopic mass936.333008 Da
  • ChemSpider ID30658643

More details:

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

2,10,16,24,30,38-Hexaazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),4,6,8(48),11,13,15(47),18,20,22(46),25,27,29(45),32,34,36(44),39,41-octadecaene-3,9,17,23,31,3 7-hexone, 43,44,45,46,47,48-hexamethoxy-13,27,41-trimethyl- [ACD/Index Name]
43,44,45,46,47,48-Hexamethoxy-13,27,41-trimethyl-2,10,16,24,30,38-hexaazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),4(48),5,7,11(47),12,14,18(46),19,21,25(45),26 ;,28,32(44),33,35,39,41-octadecaen-3,9,17,23,31,37-hexon [German] [ACD/IUPAC Name]
43,44,45,46,47,48-Hexamethoxy-13,27,41-trimethyl-2,10,16,24,30,38-hexaazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),4(48),5,7,11(47),12,14,18(46),19,21,25(45),26 ;,28,32(44),33,35,39,41-octadecaene-3,9,17,23,31,37-hexone [ACD/IUPAC Name]
43,44,45,46,47,48-Hexaméthoxy-13,27,41-triméthyl-2,10,16,24,30,38-hexaazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatétraconta-1(43),4(48),5,7,11(47),12,14,18(46),19,21,25(45),26 ;,28,32(44),33,35,39,41-octadécaène-3,9,17,23,31,37-hexone [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: 823.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 451.8±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 250.6±0.3 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20627.90
ACD/KOC (pH 5.5): 42618.22
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20627.63
ACD/KOC (pH 7.4): 42617.66
Polar Surface Area: 230 Å2
Polarizability: 99.4±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 752.6±3.0 cm3

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