9,10-Anthracenedione, 1,4-bis((4-methylphenyl)amino)dinitro-
Basic information
- CAS
68966-78-9- Standard SMILES
Cc1ccc(Nc2cc([N+](=O)[O-])c(Nc3ccc(C)cc3)c3c2C(=O)c2ccc([N+](=O)[O-])cc2C3=O)cc1- InChIKey
BKRMKHFZDYZIAN-UHFFFAOYSA-N- Molecular formula
- C28H20N4O6
- Average molar mass
- 508.5 g/mol
- Monoisotopic mass
- 508.13828437
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-bis((4-methylphenyl)amino)dinitro-
- IUPAC
- 1,4-bis(4-methylanilino)-2,7-dinitroanthracene-9,10-dione
Names & synonyms
9,10-Anthracenedione, 1,4-bis((4-methylphenyl)amino)dinitro-9,10-Anthracenedione, 1,4-bis[(4-methylphenyl)amino]dinitro-RefChem:54854168966-78-9DTXSID80988711BKRMKHFZDYZIAN-UHFFFAOYSA-N1,4-bis(4-methylanilino)-2,7-dinitroanthracene-9,10-dione
Database identifiers
- CAS
68966-78-9- PubChem CID
- 5485765
- DTXSID
DTXSID80988711
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 917
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,4-bis[(4-methylphenyl)amino]dinitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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