Basic information
- CAS
405270-73-7- Standard SMILES
O=C1c2cccc(NCc3ccccc3)c2C(=O)c2c(NCc3ccccc3)cccc21- InChIKey
XCQLUEBBVZIWHI-UHFFFAOYSA-N- Molecular formula
- C28H22N2O2
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.16812795
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,8-bis[(phenylmethyl)amino]-
- IUPAC
- 1,8-bis(benzylamino)anthracene-9,10-dione
Names & synonyms
1,8-bis(benzylamino)anthracene-9,10-dione9,10-Anthracenedione, 1,8-bis[(phenylmethyl)amino]-405270-73-7DTXSID10469442
Database identifiers
- CAS
405270-73-7- PubChem CID
- 11611447
- DTXSID
DTXSID10469442- Nikkaji
- J2.213.678J
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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