1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Basic information
- CAS
4623-21-6- Standard SMILES
COc1ccc(-n2c(=O)n(-c3ccc(OC)cc3)c(=O)n(-c3ccc(OC)cc3)c2=O)cc1- InChIKey
HGUXHAYZQPYABT-UHFFFAOYSA-N- Molecular formula
- C24H21N3O6
- Average molar mass
- 447.4 g/mol
- Monoisotopic mass
- 447.1430354
Names & identifiers
- Preferred name
- 1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 1,3,5-tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione
- English name
- Hexahydro-1,3,5-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-trione
- Molecular formula
- C24H21N3O6
- Molecular weight
- 447.44
Names & synonyms
4623-21-6s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(p-methoxyphenyl)-DTXSID00196775RefChem:1052603DTXCID401192661,3,5-Tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1,3,5-tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trioneBRN 03715361,3,5-Tris(p-methoxyphenyl)-s-triazine-2,4,6(1H,3H,5H)-trioneHexahydro-1,3,5-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-trione4-26-00-00640 (Beilstein Handbook Reference)SCHEMBL9389184
Show more names
1,3,5-Tris(4-methoxyphenyl)hexahydro-1,3,5-triazine-2,4,6-trione1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(4-methoxyphenyl)-
Database identifiers
- CAS
4623-21-6- PubChem CID
- 199633
- DTXSID
DTXSID00196775- Nikkaji
- J49.151I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 590
Physicochemical properties
- Melting point
- 259 · 259-261 °C(Solv: ethanol (64-17-5))
- Boiling point
- 617.7 · 617.7±55.0 °C(Predicted)
- Density
- 1.34 · 1.340±0.06 g/cm3(Predicted)
- pka
- 0.15 · 0.15±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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