Basic information
- CAS
194-03-6- Standard SMILES
c1cc2ccc3cccc4ncc(c1)c2c34- InChIKey
YEELFSTYCPPLQY-UHFFFAOYSA-N- Molecular formula
- C15H9N
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.07349929
Names & identifiers
- Preferred name
- Thebenidine
- IUPAC
- benzo[lmn]phenanthridine
Names & synonyms
4-AzapyreneThebenidine194-03-6Dibenzo(c,d,e)quinolineCCRIS 1604Thebenidin-Thebenidine-EINECS 205-894-8IZ77QWV60IBRN 0138610Benzo[l.m.n]phenanthridineUNII-IZ77QWV60I
Show more names
DTXSID701730135-20-08-00450 (Beilstein Handbook Reference)Benzo(l.m.n)phenanthridineRefChem:189146DTXCID4095504205-894-8YEELFSTYCPPLQY-UHFFFAOYSA-NPyrenidine
Database identifiers
- CAS
194-03-6- PubChem CID
- 9133
- DTXSID
DTXSID70173013- UNII
- IZ77QWV60I
- EC Number
- 205-894-8
- Nikkaji
- J10.918E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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