Basic information
- CAS
196-79-2- Standard SMILES
c1ccc2c(c1)ccc1c3ccccc3c3ncccc3c21- InChIKey
ASOZIQLEGCCDBT-UHFFFAOYSA-N- Molecular formula
- C21H13N
- Average molar mass
- 279.3 g/mol
- Monoisotopic mass
- 279.10479942
Names & identifiers
- Preferred name
- Benzo[h]naphtho[1,2-f]quinoline
- IUPAC
- 9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
- English name
- Benzo[h]naphtho[1,2-f]quinoline
- Molecular formula
- C21H13N
- Molecular weight
- 279.33
Names & synonyms
BENZO(h)NAPHTHO(1,2-f)QUINOLINEPyrido(3',2':5,6)chryseneBRN 0018509Benzo[h]naphtho[1,2-f]quinoline196-79-2DTXSID001732684-20-00-04452 (Beilstein Handbook Reference)RefChem:118247DTXCID5095759SCHEMBL14478689SCHEMBL311856819-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
Database identifiers
- CAS
196-79-2- PubChem CID
- 9141
- DTXSID
DTXSID00173268- Nikkaji
- J36.033C
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Melting point
- 127.5 °C · 127.5°C
- Boiling point
- 412.11 °C · 412.11°C (rough estimate)
- Density
- 1.0343 · 1.0343 (rough estimate)
- refractive index
- 1.824 · 1.8240 (estimate)
- color
- Crystals from toluene
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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