ChemSpider 2D Image | (2Z,25Z)-3,25,36-Triazaheptacyclo[25.7.1.1~12,16~.0~2,26~.0~4,9~.0~19,24~.0~31,35~]hexatriaconta-1(35),2,4,6,8,12(36),13,15,19,21,23,25,27,29,31,33-hexadecaene | C33H25N3

(2Z,25Z)-3,25,36-Triazaheptacyclo[25.7.1.112,16.02,26.04,9.019,24.031,35]hexatriaconta-1(35),2,4,6,8,12(36),13,15,19,21,23,25,27,29,31,33-hexadecaene

  • Molecular FormulaC33H25N3
  • Average mass463.572 Da
  • Monoisotopic mass463.204834 Da
  • ChemSpider ID30660318

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,25Z)-3,25,36-Triazaheptacyclo[25.7.1.112,16.02,26.04,9.019,24.031,35]hexatriaconta-1(35),2,4,6,8,12(36),13,15,19,21,23,25,27,29,31,33-hexadecaen [German] [ACD/IUPAC Name]
(2Z,25Z)-3,25,36-Triazaheptacyclo[25.7.1.112,16.02,26.04,9.019,24.031,35]hexatriaconta-1(35),2,4,6,8,12(36),13,15,19,21,23,25,27,29,31,33-hexadecaene [ACD/IUPAC Name]
(2Z,25Z)-3,25,36-Triazaheptacyclo[25.7.1.112,16.02,26.04,9.019,24.031,35]hexatriaconta-1(35),2,4,6,8,12(36),13,15,19,21,23,25,27,29,31,33-hexadécaène [French] [ACD/IUPAC Name]
7,11-Nitrilo-11H-acenaphtho[1,2-b]dibenzo[e,p][1,4]diazacycloheptadecine, 5,6,12,13-tetrahydro-, (18Z,24bZ)- [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: 684.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 367.6±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 146.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 6.61
ACD/BCF (pH 5.5): 46306.53
ACD/KOC (pH 5.5): 53605.92
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 153963.58
ACD/KOC (pH 7.4): 178233.16
Polar Surface Area: 38 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 377.7±7.0 cm3

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