16-Methyl-5-phenyl-3,4,6,7,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10,12,14-heptaene
Basic information
- CAS
74409-88-4- Standard SMILES
Cn1c2ccccc2c2cnn3c(-c4ccccc4)nnc3c21- InChIKey
IASJAGHVWKBJDD-UHFFFAOYSA-N- Molecular formula
- C18H13N5
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.11709544
Names & identifiers
- Preferred name
- 16-Methyl-5-phenyl-3,4,6,7,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10,12,14-heptaene
- IUPAC
- 16-methyl-5-phenyl-3,4,6,7,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10,12,14-heptaene
Names & synonyms
NSC33935174409-88-4DTXSID20319080NSC-33935111-Methyl-3-phenyl-11H-[1,2,4]triazolo[4',3':2,3]pyridazino[4,5-b]indole
Database identifiers
- CAS
74409-88-4- PubChem CID
- 334380
- DTXSID
DTXSID20319080
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
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Compound notes
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