Basic information
- CAS
72453-05-5- Standard SMILES
CC1=C(c2ccccc2)C2(c3ccccc3)[N-][n+]3c(ccc4ccccc43)C2(C)C1=O- InChIKey
LYUVLPXSRBBLEZ-UHFFFAOYSA-N- Molecular formula
- C28H22N2O
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.17321333
Names & identifiers
- Preferred name
- Agn-PC-0lmtqy
- IUPAC
- 11,13-dimethyl-14,15-diphenyl-1-azonia-16-azanidatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13-hexaen-12-one
Names & synonyms
72453-05-5AGN-PC-0LMTQYDTXSID20408448NSC339687NSC-3396876b,8-Dimethyl-7-oxo-9,9a-diphenyl-7,9a-dihydro-6bH-cyclopenta[3,4]pyrazolo[1,5-a]quinolin-11-ium-10-ide
Database identifiers
- CAS
72453-05-5- PubChem CID
- 5111245
- DTXSID
DTXSID20408448
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 761
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…