Predicted properties of the compound entered.

ID QJCIEOJCFNAMBF-FOLCVSDXSA-N
Formula C30H31N3
IUPAC Name 2-[(2E,4E,6E,8E,10E,12E)-13-{1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-7-yl}-4,9-dimethyltrideca-2,4,6,8,10,12-hexaen-1-ylidene]propanedinitrile
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Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C30H31N3/c1-24(10-3-4-11-25(2)13-7-15-27(22-31)23-32)12-5-6-14-26-20-28-16-8-18-33-19-9-17-29(21-26)30(28)33/h3-7,10-15,20-21H,8-9,16-19H2,1-2H3/b4-3+,12-5+,13-7+,14-6+,24-10+,25-11+
Standard InChIKey (User Input) InChIKey=QJCIEOJCFNAMBF-FOLCVSDXSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -