Basic information
- CAS
940891-83-8- Standard SMILES
c1ccc(-c2cn(-c3cccc4ccccc34)nn2)cc1- InChIKey
SHUOPOTXYVIKKE-UHFFFAOYSA-N- Molecular formula
- C18H13N3
- Average molar mass
- 271.3 g/mol
- Monoisotopic mass
- 271.11094743
Names & identifiers
- Preferred name
- 1-(1-Naphthalenyl)-4-phenyl-1H-1,2,3-triazole
- IUPAC
- 1-naphthalen-1-yl-4-phenyltriazole
Names & synonyms
940891-83-81-(1-Naphthalenyl)-4-phenyl-1H-1,2,3-triazoleRefChem:2225681-(naphthalen-1-yl)-4-phenyl-1h-1,2,3-triazoleSCHEMBL30987381DTXSID401253606HS-68591-([1,1'-Biphenyl]-2-yl)-4-phenyl-1H-1,2,3-triazole
Database identifiers
- CAS
940891-83-8- PubChem CID
- 78136552
- DTXSID
DTXSID401253606- Nikkaji
- J2.452.867G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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