Acridine, 9-butyl-1,2,3,4,5,6,7,8-octahydro-4,5-bis(phenylmethylene)-
Basic information
- CAS
105282-73-3- Standard SMILES
CCCCc1c2c(nc3c1CCCC3=Cc1ccccc1)C(=Cc1ccccc1)CCC2- InChIKey
XOLSPBQNCXYXHM-UHFFFAOYSA-N- Molecular formula
- C31H33N
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.26130006
Names & identifiers
- Preferred name
- Acridine, 9-butyl-1,2,3,4,5,6,7,8-octahydro-4,5-bis(phenylmethylene)-
- IUPAC
- 4,5-dibenzylidene-9-butyl-1,2,3,6,7,8-hexahydroacridine
Names & synonyms
105282-73-3Acridine, 9-butyl-1,2,3,4,5,6,7,8-octahydro-4,5-bis(phenylmethylene)-4,5-Dibenzylidene-9-butyl-1,2,3,4,5,6,7,8-octahydroacridineSCHEMBL4075357DTXSID40327384NCI60_017661
Database identifiers
- CAS
105282-73-3- PubChem CID
- 373776
- DTXSID
DTXSID40327384
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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