7,14-Dihydro-7,14-dipropyldibenz(a,h)anthracene-7,14-diol
Basic information
- CAS
63041-56-5- Standard SMILES
CCCC1(O)c2ccc3ccccc3c2C(O)(CCC)c2ccc3ccccc3c21- InChIKey
FRQSMRFSNSDREC-UHFFFAOYSA-N- Molecular formula
- C28H28O2
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.20893013
Names & identifiers
- Preferred name
- 7,14-Dihydro-7,14-dipropyldibenz(a,h)anthracene-7,14-diol
- IUPAC
- 7,14-dipropylnaphtho[1,2-b]phenanthrene-7,14-diol
- English name
- 7,14-Dihydro-7,14-dipropyldibenz[a,h]anthracene-7,14-diol
- Molecular formula
- C28H28O2
- Molecular weight
- 396.52
Names & synonyms
63041-56-57,14-Dihydro-7,14-dipropyldibenz(a,h)anthracene-7,14-diol7,14-dihydro-7,14-dipropyldibenz[a,h]anthracene-7,14-diolBRN 34814379,10-Di-n-propyl-9-10-dihydroxy-9,10-dihydro-1,2,5,6-dibenzanthracene9,10-Dihydro-9,10-dihydroxy-9,10-di-n-propyl-1,2:5,6-dibenzanthraceneDIBENZ(a,h)ANTHRACENE-7,14-DIOL, 7,14-DIHYDRO-7,14-DIPROPYL-9,10-Dihydroxy-9,10-di-n-propyl-9,10-dihydro-1,2:5,6-dibenzanthracene3-06-00-05910 (Beilstein Handbook Reference)DTXSID60978973DB-318220NS00121412
Show more names
HN43000000Dibenz[a,h]anthracene-7,14-diol, 7,14-dihydro-7,14-dipropyl-
7,14-Dipropyl-7,14-dihydrobenzo[k]tetraphene-7,14-diol
Database identifiers
- CAS
63041-56-5- PubChem CID
- 44365
- DTXSID
DTXSID60978973- Nikkaji
- J57.920C
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- Boiling point
- 480.21 °C · 480.21°C (rough estimate)
- Density
- 1.0254 · 1.0254 (rough estimate)
- refractive index
- 1.4875 · 1.4875 (estimate)
- pka
- 13.05 · 13.05±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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