Basic information
- CAS
6945-88-6- Standard SMILES
c1ccc(N2N=NC3C4CC(C32)C2C4N=NN2c2ccccc2)cc1- InChIKey
GXZOSPLKQHPMGJ-UHFFFAOYSA-N- Molecular formula
- C19H18N6
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.1592946
Names & identifiers
- Preferred name
- 4,8-Methano-1,2,3-triazolo(4,5-f)(1,2,3)benzotriazole, 1,3a,4,4a,7,7a,8,8a-octahydro-1,7-diphenyl-
- IUPAC
- 5,9-diphenyl-3,4,5,9,10,11-hexazatetracyclo[5.5.1.02,6.08,12]trideca-3,10-diene
Names & synonyms
6945-88-6NSC52588NSC 525884,8-Methano-1,2,3-triazolo(4,5-f)(1,2,3)benzotriazole, 1,3a,4,4a,7,7a,8,8a-octahydro-1,7-diphenyl-4,8-Methano-1,2,3-triazolo[4,5-f][1,2,3]benzotriazole, 1,3a,4,4a,7,7a,8,8a-octahydro-1,7-diphenyl-DTXSID60989342NSC-52588DS-0051681,7-Diphenyl-1,3a,4,4a,7,7a,8,8a-octahydro-4,8-methanobenzo[1,2-d:4,5-d']bis[1,2,3]triazole4,8-Methanobenzo[1,2-d:4,5-d]bistriazole,1,3a,4,4a,7,7a,8,8a-octahydro-1,5-diphenyl-(9ci)
Database identifiers
- CAS
6945-88-6- PubChem CID
- 243235
- DTXSID
DTXSID60989342
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…