4,9-Diazapyrene
Basic information
- CAS
194-08-1- Standard SMILES
c1cc2cnc3cccc4cnc(c1)c2c43- InChIKey
DFYFVYVFAUKWIH-UHFFFAOYSA-N- Molecular formula
- C14H8N2
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.06874826
Names & identifiers
- Preferred name
- 4,9-Diazapyrene
- IUPAC
- 2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
Names & synonyms
pyrido[2,3,4,5-lmn]phenanthridine194-08-14,9-diazapyreneNSC152139SCHEMBL4454194DTXSID40941100NSC-152139
Database identifiers
- CAS
194-08-1- PubChem CID
- 289835
- DTXSID
DTXSID40941100- Nikkaji
- J1.271.019D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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