Basic information
- CAS
28609-66-7- Standard SMILES
O=C1C=CC=c2c1cc1cccc3c4ccccc4cc2c13- InChIKey
IUSQNVVVYXUKMM-UHFFFAOYSA-N- Molecular formula
- C21H12O
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.088815
Names & identifiers
- Preferred name
- 8H-Dibenzo(B,MN)phenanthren-8-one
- IUPAC
- pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,7,9(21),10,12,14,16,18-decaen-6-one
Names & synonyms
8H-DIBENZO(B,MN)PHENANTHREN-8-ONE28609-66-79H-benzo[gh]tetraphen-9-oneDTXSID20182791
Database identifiers
- CAS
28609-66-7- PubChem CID
- 34291
- DTXSID
DTXSID20182791- Nikkaji
- J1.596.456A
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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