Chemical Properties of 1,3,5-Triphenyl-s-triazine-2,4,6(1H,3H,5H)-trione (CAS 1785-02-0)

InChI

InChI=1S/C21H15N3O3/c25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17/h1-15H

InChI Key

YEACGXMAEGBJSM-UHFFFAOYSA-N

Formula

C21H15N3O3

SMILES

O=c1n(-c2ccccc2)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1

Molecular Weight¹

357.36

CAS

1785-02-0

Other Names

• s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triphenyl-
• Phenyl isocyanate trimer
• Phenyl isocyanurate
• Triphenyl isocyanurate
• 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triphenyl-
• 1,3,5-Triphenyl-1,3,5-perhydro-triazine-2,4,6-trione
• 1,3,5-Triphenyl-perhydro-1,3,5-triazine-2,4,6-trione
• 1,3,5-Triphenyl-s-triazine-2,4,6-trione
• 1,3,5-Triphenyl-1,3,5-triazine-2,4,6-trione
• Phenyl isocyanate cyclic trimer
• 1,3,5-Triphenyl-2,4,6-triazinetrione
• s-Triazine-2,4,6(1H,3H,5H)-trione, triphenyl-
• 1,3,5-Triphenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
• Triazintrione, 1,3,5-triphenyl-
• 1,3,5-Triphenyl isocyanurate
• N,N',N''-Triphenyl isocyanurate
• NSC 105886
• NSC 82068

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-10063.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	[-344.00; -344.00]	kJ/mol
ΔfH°solid	-344.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-344.00 ± 3.00	kJ/mol	NIST
log10WS	-4.69		Crippen Calculated Property
logPoct/wat	2.139		Crippen Calculated Property
McVol	259.260	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-Triphenyl-s-triazine-2,4,6(1H,3H,5H)-trione.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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