2,4-Bis(3-nitrophenyl)-6-phenyl-1,3,5-triazine
Basic information
- CAS
30363-01-0- Standard SMILES
O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc([N+](=O)[O-])c3)n2)c1- InChIKey
WDIRHVPKEINPNH-UHFFFAOYSA-N- Molecular formula
- C21H13N5O4
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.09675391
Names & identifiers
- Preferred name
- 2,4-Bis(3-nitrophenyl)-6-phenyl-1,3,5-triazine
- IUPAC
- 2,4-bis(3-nitrophenyl)-6-phenyl-1,3,5-triazine
Names & synonyms
2,4-bis(3-nitrophenyl)-6-phenyl-1,3,5-triazine30363-01-0DTXSID40275255
Database identifiers
- CAS
30363-01-0- PubChem CID
- 35222
- DTXSID
DTXSID40275255- Nikkaji
- J1.614.160G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 561
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Compound notes
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