ChemSpider 2D Image | Scytonemin | C36H20N2O4

Scytonemin

  • Molecular FormulaC36H20N2O4
  • Average mass544.555 Da
  • Monoisotopic mass544.142334 Da
  • ChemSpider ID16736974

  • Double-bond stereo - Double-bond stereo

More details:

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

(1,1'-Bicyclopent(b)indole)-2,2'(3H,3'H)-dione, 3,3'-bis((4-hydroxyphenyl)methylene)-
(3E,3'E)-3,3'-Bis(4-hydroxybenzyliden)-1,1'-bicyclopenta[b]indol-2,2'(3H,3'H)-dion [German] [ACD/IUPAC Name]
(3E,3'E)-3,3'-Bis(4-hydroxybenzylidene)-1,1'-bicyclopenta[b]indole-2,2'(3H,3'H)-dione [ACD/IUPAC Name]
(3E,3'E)-3,3'-Bis(4-hydroxybenzylidène)-1,1'-bicyclopenta[b]indole-2,2'(3H,3'H)-dione [French] [ACD/IUPAC Name]
[1,1'-Bicyclopent[b]indole]-2,2'(3H,3'H)-dione, 3,3'-bis[(4-hydroxyphenyl)methylene]-, (3E,3'E)- [ACD/Index Name]
152075-98-4 [RN]
3,3'-Bis((4-hydroxyphenyl)methylene)-(1,1'-bicyclopent(b)indole)-2,2'(3H,3'H)-dione
Scytonemin [Wiki]
(1,1'-Bicyclopent(b)indole)-2,2'(3H,3'H)-dione, 3,3'-bis((4hydroxyphenyl)methylene)-3,3'-Bis((4-hydroxyphenyl)methylene)-(1,1'-bicyclopent(b)indole)-2,2'(3H,3'H)-dione
(3E,3'E)-3,3'-bis[(4-hydroxyphenyl)methylidene][1,1'-bicyclopenta[b]indole]-2,2'(3H,3'H)-dione
  • Miscellaneous

    • Chemical Class:

      A ring assembly obtained by 1,1'-coupling of two molecules of (3<stereo>E</stereo>)-3-[(4-hydroxyphenyl)methylidene]cyclopenta[<ital>b</ital>]indol-2(3<element>H</element>)-one. A UV-screening molecul e produced by many strains of cyanobacteria. ChEBI CHEBI:90127
      A ring assembly obtained by 1,1'-coupling of two molecules of (3E)-3-[(4-hydroxyphenyl)methylidene]cyclopenta[b]indol-2(3H)-one. A UV-screening molecul; e produced by many strains of cyanobacteria. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90127
      A ring assembly obtained by 1,1'-coupling of two molecules of (3E)-3-[(4-hydroxyphenyl)methylidene]cyclopenta[b]indol-2(3H)-one. A UV-screening molecule produced by many strains of cyanobacteria. ChEBI CHEBI:90127

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

Density: 1.4±0.1 g/cm3
Boiling Point: 813.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 445.8±34.3 °C
Index of Refraction: 1.764
Molar Refractivity: 157.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.18
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 205972.34
ACD/KOC (pH 5.5): 221340.47
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 189196.11
ACD/KOC (pH 7.4): 203312.52
Polar Surface Area: 99 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 381.5±7.0 cm3

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