11H-Benz(BC)aceanthrylen-11-one
Basic information
- CAS
86853-89-6- Standard SMILES
O=c1c2cccc3ccc4cc5ccccc5c1c4c32- InChIKey
ZJDMTXHCSKYMJV-UHFFFAOYSA-N- Molecular formula
- C19H10O
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.07316494
Names & identifiers
- Preferred name
- 11H-Benz(BC)aceanthrylen-11-one
- IUPAC
- pentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-19-one
Names & synonyms
11H-BENZ(BC)ACEANTHRYLEN-11-ONE86853-89-6DTXSID5023586511H-Cyclopenta[pqr]tetraphen-11-one
Database identifiers
- CAS
86853-89-6- PubChem CID
- 55571
- DTXSID
DTXSID50235865- Nikkaji
- J503.676C
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
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Related reactions
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Compound notes
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