Basic information
- CAS
99640-35-4- Standard SMILES
CN1CCc2cccc3c2C1Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1-3- InChIKey
VBPQTDKFLRFHSL-UHFFFAOYSA-N- Molecular formula
- C31H25NO4
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 475.17835828
Names & identifiers
- Preferred name
- 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, dibenzoate (ester)
- IUPAC
- (11-benzoyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl) benzoate
Names & synonyms
4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, dibenzoate (ester)99640-35-45,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diol dibenzoate (ester)RefChem:297516DTXSID609125746-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diyl dibenzoate
Database identifiers
- CAS
99640-35-4- PubChem CID
- 57524
- DTXSID
DTXSID60912574
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 787
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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