4-[4,6-bis[4-(dimethylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]thiopyran-2-yl]-N,N-dimethylaniline
Basic information
- CAS
63072-29-7- Standard SMILES
CN(C)c1ccc(C2=CC(c3ccc(N(C)C)cc3)(c3ccc(C(F)(F)F)cc3)C=C(c3ccc(N(C)C)cc3)S2)cc1- InChIKey
UQYKFRUBVPNKQC-UHFFFAOYSA-N- Molecular formula
- C36H36F3N3S
- Average molar mass
- 599.8 g/mol
- Monoisotopic mass
- 599.25820382
Names & identifiers
- Preferred name
- 4-[4,6-bis[4-(dimethylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]thiopyran-2-yl]-N,N-dimethylaniline
- IUPAC
- 4-[4,6-bis[4-(dimethylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]thiopyran-2-yl]-N,N-dimethylaniline
Names & synonyms
NSC29474063072-29-7DTXSID10315455NSC-2947404,4',4''-{4-[4-(Trifluoromethyl)phenyl]-4H-thiopyran-2,4,6-triyl}tris(N,N-dimethylaniline)
Database identifiers
- CAS
63072-29-7- PubChem CID
- 325649
- DTXSID
DTXSID10315455
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 913
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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