9H-Indeno(2,1-C)phenanthren-9-one
Basic information
- CAS
86853-93-2- Standard SMILES
O=C1c2ccccc2-c2c1ccc1ccc3ccccc3c21- InChIKey
OKJXRNUIKNCGMZ-UHFFFAOYSA-N- Molecular formula
- C21H12O
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.088815
Names & identifiers
- Preferred name
- 9H-Indeno(2,1-C)phenanthren-9-one
- IUPAC
- pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-one
Names & synonyms
9H-INDENO(2,1-C)PHENANTHREN-9-ONECCRIS 801086853-93-2UNII-SE74J3I28V9H-Indeno[2,1-c]phenanthren-9-oneSE74J3I28VJ1.216.944BDTXSID30235868RefChem:108253DTXCID60158359Q27289158
Database identifiers
- CAS
86853-93-2- PubChem CID
- 55575
- DTXSID
DTXSID30235868- UNII
- SE74J3I28V
- Nikkaji
- J1.216.944B
Properties
Computed structural properties
- XLogP
- 5.6
- 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
- 455
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Related reactions
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Compound notes
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