1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(4-hydroxyphenyl)-
Basic information
- CAS
138006-23-2- Standard SMILES
O=c1n(-c2ccc(O)cc2)c(=O)n(-c2ccc(O)cc2)c(=O)n1-c1ccc(O)cc1- InChIKey
POVXNJNMCOXEEL-UHFFFAOYSA-N- Molecular formula
- C21H15N3O6
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.09608521
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(4-hydroxyphenyl)-
- IUPAC
- 1,3,5-tris(4-hydroxyphenyl)-1,3,5-triazinane-2,4,6-trione
Names & synonyms
138006-23-21,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(4-hydroxyphenyl)-1,3,5-tris(4-hydroxyphenyl)-1,3,5-triazinane-2,4,6-trioneSCHEMBL6466373DTXSID30471562
Database identifiers
- CAS
138006-23-2- PubChem CID
- 11742001
- DTXSID
DTXSID30471562- Nikkaji
- J529.556D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 549
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Compound notes
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