Basic information
- CAS
63040-53-9- Standard SMILES
O=Cc1c2ccccc2c2ccc3c4ccccc4cc4ccc1c2c43- InChIKey
KXXBSQCVRSXSMB-UHFFFAOYSA-N- Molecular formula
- C25H14O
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.10446507
Names & identifiers
- Preferred name
- BENZO(rst)PENTAPHENE-5-CARBOXALDEHYDE
- IUPAC
- hexacyclo[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
- Benzo[rst]pentaphene-5-carbaldehyde
- Molecular formula
- C25H14O
- Molecular weight
- 330.38
Names & synonyms
Benzo[rst]pentaphene-5-carbaldehyde63040-53-9BENZO(rst)PENTAPHENE-5-CARBOXALDEHYDEBRN 25941445-Formyl-3,4:9,10-dibenzopyreneDTXSID40212342DB-307607Benzo[rst]pentaphene-5-carboxaldehyde
Database identifiers
- CAS
63040-53-9- PubChem CID
- 44348
- DTXSID
DTXSID40212342- Nikkaji
- J132.031I
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)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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