14-Methyldibenzo(b,def)chrysene-7-carboxaldehyde
Basic information
- CAS
63040-57-3- Standard SMILES
Cc1c2ccccc2c2ccc3c(C=O)c4ccccc4c4ccc1c2c34- InChIKey
JCLLLOWHGWQBRZ-UHFFFAOYSA-N- Molecular formula
- C26H16O
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.12011513
Names & identifiers
- Preferred name
- 14-Methyldibenzo(b,def)chrysene-7-carboxaldehyde
- IUPAC
- 19-methylhexacyclo[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
- 14-Methyldibenzo[b,def]chrysene-7-carbaldehyde
- Molecular formula
- C26H16O
- Molecular weight
- 344.4
Names & synonyms
63040-57-3DIBENZO(b,def)CHRYSENE-7-CARBOXALDEHYDE 14-METHYL-BRN 259823614-Methyldibenzo(b,def)chrysene-7-carboxaldehyde5-Formyl-10-methyl-3,4:8,9-dibenzopyrene14-Methyldibenzo[b,def]chrysene-7-carbaldehyde14-methyldibenzo[c,pqr]tetraphene-7-carbaldehydeDTXSID80212346DB-301297Dibenzo[b,def]chrysene-7-carboxaldehyde, 14-methyl-
Database identifiers
- CAS
63040-57-3- PubChem CID
- 44351
- DTXSID
DTXSID80212346- Nikkaji
- J74.751C
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 583
Physicochemical properties
- Boiling point
- 439.5 °C · 439.5°C (rough estimate)
- Density
- 1.0758 · 1.0758 (rough estimate)
- refractive index
- 1.638 · 1.6380 (estimate)
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Related reactions
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Compound notes
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