2,4,5,7-Tetramethylphenanthrene;1,3,5-trinitrobenzene
Basic information
- CAS
7343-17-1- Standard SMILES
Cc1cc(C)c2c(ccc3cc(C)cc(C)c32)c1.O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
LAIYAFPKAMVUEQ-UHFFFAOYSA-N- Molecular formula
- C24H21N3O6
- Average molar mass
- 447.4 g/mol
- Monoisotopic mass
- 447.1430354
Names & identifiers
- Preferred name
- 2,4,5,7-Tetramethylphenanthrene;1,3,5-trinitrobenzene
- IUPAC
- 2,4,5,7-tetramethylphenanthrene;1,3,5-trinitrobenzene
Names & synonyms
7343-17-1NSC171602DTXSID90305753NSC-1716022,4,5,7-Tetramethylphenanthrene--1,3,5-trinitrobenzene (1/1)
Database identifiers
- CAS
7343-17-1- PubChem CID
- 299135
- DTXSID
DTXSID90305753
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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