ANTHRA(1,9-cd)PYRAZOL-6-ONE, 2-(7-OXO-7H-BENZ(de)ANTHRACEN-1-YL)-
Basic information
- CAS
73791-28-3- Standard SMILES
O=C1c2ccccc2-c2c(-n3nc4c5c(cccc53)C(=O)c3ccccc3-4)ccc3cccc1c23- InChIKey
NQBKFULMFQMZBE-UHFFFAOYSA-N- Molecular formula
- C31H16N2O2
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.12117776
Names & identifiers
- Preferred name
- ANTHRA(1,9-cd)PYRAZOL-6-ONE, 2-(7-OXO-7H-BENZ(de)ANTHRACEN-1-YL)-
- IUPAC
- 14-(7-oxobenzo[a]phenalen-1-yl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
Names & synonyms
ANTHRA(1,9-cd)PYRAZOL-6-ONE, 2-(7-OXO-7H-BENZ(de)ANTHRACEN-1-YL)-Pyron [Czech]73791-28-3BRN 0724488N-Bz-3-Benzanthronylpyrazolanthron [Czech]N-Bz-3-Benzanthronylpyrazolanthron2-(7-Oxo-7H-benz(de)anthracen-1-yl)-anthra(1,9-cd)pyrazol-6-one5-24-04-00481 (Beilstein Handbook Reference)SCHEMBL29787222DTXSID602242002-(7-oxo-7H-benzo[de]anthracen-1-yl)dibenzo[cd,g]indazol-6(2H)-one
Database identifiers
- CAS
73791-28-3- PubChem CID
- 52489
- DTXSID
DTXSID60224200
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 887
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…