3,4,6-Triphenyl-5,7,8-triazatricyclo[7.6.0.02,7]pentadeca-1,3,5,8-tetraene
Basic information
- CAS
54806-89-2- Standard SMILES
c1ccc(-c2nc(-c3ccccc3)n3nc4c(c3c2-c2ccccc2)CCCCCC4)cc1- InChIKey
KDPVUISIUUPFPR-UHFFFAOYSA-N- Molecular formula
- C30H27N3
- Average molar mass
- 429.6 g/mol
- Monoisotopic mass
- 429.22049787
Names & identifiers
- Preferred name
- 3,4,6-Triphenyl-5,7,8-triazatricyclo[7.6.0.02,7]pentadeca-1,3,5,8-tetraene
- IUPAC
- 3,4,6-triphenyl-5,7,8-triazatricyclo[7.6.0.02,7]pentadeca-1,3,5,8-tetraene
Names & synonyms
NSC25641254806-89-2DTXSID30312527NSC-2564121,3,4-Triphenyl-5,6,7,8,9,10-hexahydrocycloocta[3,4]pyrazolo[1,5-c]pyrimidine
Database identifiers
- CAS
54806-89-2- PubChem CID
- 318652
- DTXSID
DTXSID30312527
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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