4-(3-Chlorophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
Basic information
- CAS
2099075-86-0- Standard SMILES
Clc1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)c1- InChIKey
BRXLJLTVHIXSKL-UHFFFAOYSA-N- Molecular formula
- C28H19ClN2
- Average molar mass
- 418.9 g/mol
Names & identifiers
- Preferred name
- 4-(3-Chlorophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
- IUPAC
- 4-(3-chlorophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
- English name
- 4-([1,1'-biphenyl]-4-yl)-6-(3-chlorophenyl)-2-phenylpyrimidine
- Molecular formula
- C28H19ClN2
- Molecular weight
- 418.92
Names & synonyms
SCHEMBL19293865SCHEMBL307751214-[1,1'-biphenyl]-4-yl-6-(3-chlorophenyl)-2-phenyl-pyrimidine4-([1,1'-biphenyl]-4-yl)-6-(3-chlorophenyl)-2-phenylpyrimidinePyrimidine, 4-[1,1'-biphenyl]-4-yl-6-(3-chlorophenyl)-2-phenyl-
Database identifiers
- CAS
2099075-86-0
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 533
Physicochemical properties
- Boiling point
- 550.3 · 550.3±32.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 0.41 · 0.41±0.43(Predicted)
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Compound notes
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