Basic information
- CAS
63040-54-0- Standard SMILES
O=Cc1c2ccccc2c2ccc3cc4ccccc4c4ccc1c2c34- InChIKey
SMNAQDLLFBJHTK-UHFFFAOYSA-N- Molecular formula
- C25H14O
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.10446507
Names & identifiers
- Preferred name
- DIBENZO(b,def)CHRYSENE-7-CARBOXALDEHYDE
- IUPAC
- hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene-8-carbaldehyde
- English name
- Dibenzo[b,def]chrysene-7-carbaldehyde
- Molecular formula
- C25H14O
- Molecular weight
- 330.38
Names & synonyms
DIBENZO(b,def)CHRYSENE-7-CARBOXALDEHYDE63040-54-0BRN 25941455-Formyl-3,4:8,9-dibenzopyreneDibenzo[b,def]chrysene-7-carbaldehydedibenzo[c,pqr]tetraphene-7-carbaldehyde4-07-00-01940 (Beilstein Handbook Reference)DTXSID00212343DB-319073Dibenzo[b,def]chrysene-7-carboxaldehyde
Database identifiers
- CAS
63040-54-0- PubChem CID
- 44349
- DTXSID
DTXSID00212343- Nikkaji
- J74.749A
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- Boiling point
- 427.82 °C · 427.82°C (rough estimate)
- Density
- 1.0905 · 1.0905 (rough estimate)
- refractive index
- 1.638 · 1.6380 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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