Basic information
- CAS
7509-19-5- Standard SMILES
O=[N+]([O-])c1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)cc(-c3cccc([N+](=O)[O-])c3)c2)c1- InChIKey
SYMWBBQLYABKQL-UHFFFAOYSA-N- Molecular formula
- C24H15N3O6
- Average molar mass
- 441.4 g/mol
- Monoisotopic mass
- 441.09608521
Names & identifiers
- Preferred name
- 1,3,5-Tris(3-nitrophenyl)benzene
- IUPAC
- 1,3,5-tris(3-nitrophenyl)benzene
Names & synonyms
7509-19-5NSC407264DTXSID90324626NSC-4072643,3''-Dinitro-5'-(3-nitrophenyl)-1,1':3',1''-terphenyl1~3~,3~3~-Dinitro-2~5~-(3-nitrophenyl)-1~1~,2~1~:2~3~,3~1~-terphenyl
Database identifiers
- CAS
7509-19-5- PubChem CID
- 348146
- DTXSID
DTXSID90324626- Nikkaji
- J808.137I
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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