Chemical Properties of Hexaphenylisomelamine

Hexaphenylisomelamine

InChI
InChI=1S/C39H30N6/c1-7-19-31(20-8-1)40-37-43(34-25-13-4-14-26-34)38(41-32-21-9-2-10-22-32)45(36-29-17-6-18-30-36)39(42-33-23-11-3-12-24-33)44(37)35-27-15-5-16-28-35/h1-30H
InChI Key
MBZKVOZDQXHTIK-UHFFFAOYSA-N
Formula
C39H30N6
SMILES
c1ccc(N=c2n(-c3ccccc3)c(=Nc3ccccc3)n(-c3ccccc3)c(=Nc3ccccc3)n2-c2ccccc2)cc1
Molecular Weight1
582.71
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Physical Properties

Property Value Unit Source
ΔcH°solid -20256.00 ± 14.00 kJ/mol NIST
ΔfH°solid 622.00 ± 14.00 kJ/mol NIST
IE 6.57 eV Relay (1.0) Calculated Property
logPoct/wat 7.756 Crippen Calculated Property
McVol 453.930 ml/mol McGowan Calculated Property
S°solid,1 bar 706.50 J/mol×K NIST
Tfus 495.86 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid 672.40 J/mol×K 298.15 NIST

Similar Compounds

3-Anilino-1,4-diphenyl-5-phenylimino-1,2,4-triazoline. 1-Phenylcarbamoyl-2,3-phthaloyl-7,8-benzopyrrocoline. famotidine. Nomifemsine M(HO), diacetylated, isomer # 2. 1H-Pyrazolo[4,3-d]pyrimidine, 7-amino-3-«beta»-D-ribofuranosyl-. Cilostazol. Nomifensine M(HO-methoxy), diacetylated. Cytosine arabinoside, dimethyl-TMS derivative. 7-tiglyl echinatine, diTMS, dihydro. 7-angelyl echinatine, diTMS, dihydro. Glyceollin I, TMS. Uridine, 5'-O-TBDMS. Cytidine, methyl-TMS derivative. naringin. 3-Amino-1-propanol, ferrocenylboronate.

Find more compounds similar to Hexaphenylisomelamine.

Sources

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