Basic information
- CAS
30589-45-8- Standard SMILES
c1ccc(C2=NNC3c4ccccc4-c4ccccc4N3C2)cc1- InChIKey
FAYPZHNTUGZDIX-UHFFFAOYSA-N- Molecular formula
- C21H17N3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.14224756
Names & identifiers
- Preferred name
- 3-phenyl-1,13b-dihydro-4H-[1,2,4]triazino[4,3-f]phenanthridine
- IUPAC
- 3-phenyl-4,13b-dihydro-1H-[1,2,4]triazino[4,3-f]phenanthridine
Names & synonyms
NSC15362530589-45-83-phenyl-1,13b-dihydro-4H-[1,2,4]triazino[4,3-f]phenanthridineNSC-153625CHEMBL1985916DTXSID80302791NCI60_001088
Database identifiers
- CAS
30589-45-8- PubChem CID
- 290348
- DTXSID
DTXSID80302791- ChEMBL
CHEMBL1985916
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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