Basic information
- CAS
71221-27-7- Standard SMILES
CCCCCCCCCCCCCCc1nc2c3ccccc3ccc2c2ccccc12- InChIKey
CAFXGVYQISBXMB-UHFFFAOYSA-N- Molecular formula
- C31H39N
- Average molar mass
- 425.6 g/mol
- Monoisotopic mass
- 425.30825025
Names & identifiers
- Preferred name
- 6-Tetradecylbenzo(c)phenanthridine
- IUPAC
- 6-tetradecylbenzo[c]phenanthridine
- English name
- 6-Tetradecylbenzo[c]phenanthridine
- Molecular formula
- C31H39N
- Molecular weight
- 425.65
Names & synonyms
6-Tetradecylbenzo[c]phenanthridine71221-27-76-Tetradecylbenzo(c)phenanthridineRefChem:309420Benzo[c]phenanthridine, 6-tetradecyl-CAFXGVYQISBXMB-UHFFFAOYSA-NDTXSID4012955516-Tetradecylbenzo[c]phenanthridine #
Database identifiers
- CAS
71221-27-7- PubChem CID
- 618296
- DTXSID
DTXSID401295551- Nikkaji
- J145.558C
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Boiling point
- 577.2 · 577.2±19.0 °C(Predicted)
- Density
- 1.023 · 1.023±0.06 g/cm3(Predicted)
- pka
- 5.03 · 5.03±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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