ChemSpider 2D Image | 11,36-Dioxa-6,41-dithia-17,30-diazaundecacyclo[40.2.2.2~2,5~.2~7,10~.2~37,40~.1~12,16~.1~17,25~.1~22,30~.1~31,35~.0~19,24~.0~23,28~]hexapentaconta-1(44),2,4,7,9,12(52),13,15,19,21,23,25,27,31(49),32,3 4,37,39,42,45,47,53,55-tricosaene-18,29,50,51-tetrone 6,6,41,41-tetraoxide | C50H28N2O10S2

11,36-Dioxa-6,41-dithia-17,30-diazaundecacyclo[40.2.2.22,5.27,10.237,40.112,16.117,25.122,30.131,35.019,24.023,28]hexapentaconta-1(44),2,4,7,9,12(52),13,15,19,21,23,25,27,31(49),32,3 4,37,39,42,45,47,53,55-tricosaene-18,29,50,51-tetrone 6,6,41,41-tetraoxide

  • Molecular FormulaC50H28N2O10S2
  • Average mass880.895 Da
  • Monoisotopic mass880.118530 Da
  • ChemSpider ID4880347

More details:

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

11,36-Dioxa-6,41-dithia-17,30-diazaundecacyclo[40.2.2.22,5.27,10.237,40.112,16.117,25.122,30.131,35.019,24.023,28]hexapentaconta-1(44),2,4,7,9,12(52),13,15,19,21,23,25,27,31(49),32,3 
4,37,39,42,45,47,53,55-tricosaen-18,29,50,51-tetron-6,6,41,41-tetraoxid [German] [ACD/IUPAC Name]
11,36-Dioxa-6,41-dithia-17,30-diazaundecacyclo[40.2.2.22,5.27,10.237,40.112,16.117,25.122,30.131,35.019,24.023,28]hexapentaconta-1(44),2,4,7,9,12(52),13,15,19,21,23,25,27,31(49),32,3 
4,37,39,42,45,47,53,55-tricosaene-18,29,50,51-tetrone 6,6,41,41-tetraoxide [ACD/IUPAC Name]
6,6,41,41-Tétraoxyde de -11,36-dioxa-6,41-dithia-17,30-diazaundécacyclo[40.2.2.22,5.27,10.237,40.112,16.117,25.122,30.131,35.019,24.023,28]hexapentaconta-1(44),2,4,7,9,12(52),13,15,1 9,21,23,25,27,31(49),32,34,37,39,42,45,47,53,55-tricosaène-18,29,50,51-tétrone [French] [ACD/IUPAC Name]
Pyromellitimide-disulfone cyclic oligomer

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.840
Molar Refractivity: 234.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 7.29
ACD/BCF (pH 5.5): 203842.94
ACD/KOC (pH 5.5): 219765.97
ACD/LogD (pH 7.4): 7.29
ACD/BCF (pH 7.4): 203857.48
ACD/KOC (pH 7.4): 219781.64
Polar Surface Area: 178 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 102.0±5.0 dyne/cm
Molar Volume: 528.9±5.0 cm3

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