5-[2-(3,5-Dichlorophenyl)diazenyl]-4-(4-methylphenyl)-2-phenylpyrimidine
Basic information
- CAS
338962-06-4- Standard SMILES
Cc1ccc(-c2nc(-c3ccccc3)ncc2N=Nc2cc(Cl)cc(Cl)c2)cc1- InChIKey
FOSKXNHOICZLSR-UHFFFAOYSA-N- Molecular formula
- C23H16Cl2N4
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 418.0752019
Names & identifiers
- Preferred name
- 5-[2-(3,5-Dichlorophenyl)diazenyl]-4-(4-methylphenyl)-2-phenylpyrimidine
- IUPAC
- (3,5-dichlorophenyl)-[4-(4-methylphenyl)-2-phenylpyrimidin-5-yl]diazene
- English name
- 5-[2-(3,5-Dichlorophenyl)diazenyl]-4-(4-methylphenyl)-2-phenylpyrimidine
- Molecular formula
- C23H16Cl2N4
- Molecular weight
- 419.31
Names & synonyms
338962-06-45-[2-(3,5-dichlorophenyl)diazenyl]-4-(4-methylphenyl)-2-phenylpyrimidine(3,5-dichlorophenyl)-[4-(4-methylphenyl)-2-phenylpyrimidin-5-yl]diazene5-[(Z)-2-(3,5-dichlorophenyl)diazen-1-yl]-4-(4-methylphenyl)-2-phenylpyrimidineDTXSID401148518AKOS0050955715M-0075-[(3,5-Dichlorophenyl)diazenyl]-4-(4-methylphenyl)-2-phenylpyrimidinePyrimidine, 5-[2-(3,5-dichlorophenyl)diazenyl]-4-(4-methylphenyl)-2-phenyl-
Database identifiers
- CAS
338962-06-4- PubChem CID
- 3825005
- DTXSID
DTXSID401148518
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 521
Physicochemical properties
- Boiling point
- 534.4 · 534.4±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- -0.6 · -0.60±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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