bis(4-phenylphenyl)-1,3,4-oxadiazole

• ChemBase ID: 302063
• Molecular Formular: C26H18N2O
• Molecular Mass: 374.43392
• Monoisotopic Mass: 374.14191321
• SMILES: c1ccc(cc1)c1ccc(cc1)c1nnc(o1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)c1nnc(o1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C26H18N2O/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
• InChIKey: IVVYVRLKDGGUEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-phenylphenyl)-1,3,4-oxadiazole
• IUPAC Traditional name: bis(4-phenylphenyl)-1,3,4-oxadiazole
• Synonyms: BBOD; 2,5-Bis(4-biphenylyl)-1,3,4-oxadiazole; 2,5-双(4-联苯基)-1,3,4-二唑

Database IDs

• CAS Number: 2043-06-3
• EC Number: 218-046-7
• MDL Number: MFCD00042666
• Beilstein Number: 318611

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.2986765
• LogD (pH = 7.4): 6.298677
• Log P: 6.298677
• Molar Refractivity: 137.4592 cm^3
• Polarizability: 48.21286 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 235-238°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%