3,4-Dimethyldibenzo[a,o]perylene-7,16-dione
Basic information
- CAS
6336-98-7- Standard SMILES
Cc1ccc2c(=O)c3ccccc3c3c2c1c1c(C)ccc2c(=O)c4ccccc4c3c21- InChIKey
IJFDOVWXJGQCGY-UHFFFAOYSA-N- Molecular formula
- C30H18O2
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.13067981
Names & identifiers
- Preferred name
- 3,4-Dimethyldibenzo[a,o]perylene-7,16-dione
- IUPAC
- 13,16-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10(28),11,13,15,17,19(27),21,23,25-tridecaene-9,20-dione
Names & synonyms
6336-98-7CHEMBL51743793,4-dimethyldibenzo[a,o]perylene-7,16-dioneNSC39915DTXSID60284945BDBM50600230NSC-39915
Database identifiers
- CAS
6336-98-7- PubChem CID
- 236887
- DTXSID
DTXSID60284945- ChEMBL
CHEMBL5174379
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 735
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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