Basic information
- Standard SMILES
CN1C(=O)CC[C@]2(C)c3ccc(-c4c5ccccc5cc5ccccc45)cc3CC[C@@H]12- InChIKey
KUMUGRLFZNNFKP-GGXMVOPNSA-N- Molecular formula
- C29H27NO
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.20926449
Names & identifiers
- Preferred name
- (+)-(4aR)-(10bR)-4-methyl-8-(9-anthracenyl)-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one
- IUPAC
- (4aR,10bR)-8-anthracen-9-yl-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
Names & synonyms
SCHEMBL7463974KUMUGRLFZNNFKP-GGXMVOPNSA-N(+)-(4aR)-(10bR)-4-methyl-8-(9-anthracenyl)-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one
Database identifiers
- PubChem CID
- 54014229
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 666
Related reactions
4 records
Compound notes
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