4-phenyl-2-(4-phenylpyridin-2-yl)pyridine

• ChemBase ID: 150539
• Molecular Formular: C22H16N2
• Molecular Mass: 308.37584
• Monoisotopic Mass: 308.13134852
• SMILES: c1ccc(cc1)c1ccnc(c1)c1cc(ccn1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccnc(c1)c1nccc(c1)c1ccccc1
• InChI: InChI=1S/C22H16N2/c1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18/h1-16H
• InChIKey: OXMSMRJQZMTIMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-2-(4-phenylpyridin-2-yl)pyridine
• IUPAC Traditional name: 4-phenyl-2-(4-phenylpyridin-2-yl)pyridine
• Synonyms: 4,4′-Diphenyl-2,2′-dipyridyl

Database IDs

• CAS Number: 6153-92-0
• EC Number: 228-174-5
• MDL Number: MFCD00006421
• PubChem SID: 24862643; 162244700
• PubChem CID: 80259

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.248628
• LogD (pH = 7.4): 5.251244
• Log P: 5.251278
• Molar Refractivity: 96.4088 cm^3
• Polarizability: 41.83667 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 188-190 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Grade: technical grade
• Empirical Formula (Hill Notation): C22H16N2

DETAILS

Sigma Aldrich - 366323

Packaging
500 mg in glass bottle