BENZO(rst)PENTAPHENE-5-CARBOXALDEHYDE, 8-METHYL-
Basic information
- CAS
63040-56-2- Standard SMILES
Cc1c2ccccc2c2ccc3c4ccccc4c(C=O)c4ccc1c2c43- InChIKey
MCGBHWDYRPGANM-UHFFFAOYSA-N- Molecular formula
- C26H16O
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.12011513
Names & identifiers
- Preferred name
- BENZO(rst)PENTAPHENE-5-CARBOXALDEHYDE, 8-METHYL-
- IUPAC
- 13-methylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18,20(24),21-dodecaene-8-carbaldehyde
- English name
- 8-Methylbenzo[rst]pentaphene-5-carbaldehyde
- Molecular formula
- C26H16O
- Molecular weight
- 344.4
Names & synonyms
63040-56-2BENZO(rst)PENTAPHENE-5-CARBOXALDEHYDE, 8-METHYL-8-methylbenzo[rst]pentaphene-5-carbaldehydeBRN 25982355-Formyl-8-methyl-3,4:9,10-dibenzopyrene8-Methylbenzo(rst)pentaphene-5-carboxaldehydeDTXSID20212345DB-307513Benzo[rst]pentaphene-5-carboxaldehyde, 8-methyl-
Database identifiers
- CAS
63040-56-2- PubChem CID
- 44350
- DTXSID
DTXSID20212345- Nikkaji
- J132.032G
Properties
Computed structural properties
- XLogP
- 7.1
- 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
- Melting point
- 329 °C · 329 °C
- Boiling point
- 439.5 °C · 439.5°C (rough estimate)
- Density
- 1.0758 · 1.0758 (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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