Basic information
- Standard SMILES
CC(C)(C)c1ccc(Nc2cccc3c2C(=O)c2ccc([N+](=O)[O-])cc2C3=O)cc1- InChIKey
TYAZBAAIWQPWKI-UHFFFAOYSA-N- Molecular formula
- C24H20N2O4
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.14230712
Names & identifiers
- Preferred name
- 1-(p-Tert.-butyl-anilino)-6-nitro-anthraquinone
- IUPAC
- 1-(4-tert-butylanilino)-6-nitroanthracene-9,10-dione
Names & synonyms
SCHEMBL11596789TYAZBAAIWQPWKI-UHFFFAOYSA-N1-(p-tert.-butyl-anilino)-6-nitro-anthraquinone
Database identifiers
- PubChem CID
- 20316488
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 686
Related reactions
3 records
Compound notes
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