1,4-dimethyl-2,5-diphenylbenzene

• ChemBase ID: 292025
• Molecular Formular: C20H18
• Molecular Mass: 258.35692
• Monoisotopic Mass: 258.14085058
• SMILES: Cc1c(c2ccccc2)cc(C)c(c2ccccc2)c1
• Canonical SMILES: Cc1cc(c(cc1c1ccccc1)C)c1ccccc1
• InChI: InChI=1S/C20H18/c1-15-13-20(18-11-7-4-8-12-18)16(2)14-19(15)17-9-5-3-6-10-17/h3-14H,1-2H3
• InChIKey: TUSIRMATSRRTEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethyl-2,5-diphenylbenzene
• IUPAC Traditional name: 1,4-dimethyl-2,5-diphenylbenzene
• Synonyms: 2',5'-Dimethyl-1,1':4',1''-terphenyl

Database IDs

• CAS Number: 20260-22-4
• MDL Number: MFCD00628774
• PubChem SID: 180677556
• PubChem CID: 620984

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.2945395
• LogD (pH = 7.4): 6.2945395
• Log P: 6.2945395
• Molar Refractivity: 86.4128 cm^3
• Polarizability: 36.190174 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%