Basic information
- CAS
917966-50-8- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1-c1ccc(-c2ccccc2)cc1- InChIKey
SIMWSFXSOHDHQK-UHFFFAOYSA-N- Molecular formula
- C26H19F3N2O2
- Average molar mass
- 448.4 g/mol
- Monoisotopic mass
- 448.13986234
Names & identifiers
- Preferred name
- N-[1~1~,2~1~:2~4~,3~1~-Terphenyl]-1~2~-yl-N'-[4-(trifluoromethoxy)phenyl]urea
- IUPAC
- 1-[2-(4-phenylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Names & synonyms
917966-50-8N-[1~1~,2~1~:2~4~,3~1~-Terphenyl]-1~2~-yl-N'-[4-(trifluoromethoxy)phenyl]ureaSCHEMBL2872551DTXSID30581019SIMWSFXSOHDHQK-UHFFFAOYSA-NN-([1~1~,2~1~:2~4~,3~1~-Terphenyl]-1~2~-yl)-N'-[4-(trifluoromethoxy)phenyl]urea
Database identifiers
- CAS
917966-50-8- PubChem CID
- 16005998
- DTXSID
DTXSID30581019
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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