1-phenyl-4-[2-(4-phenylphenyl)ethenyl]benzene

• ChemBase ID: 108680
• Molecular Formular: C26H20
• Molecular Mass: 332.437
• Monoisotopic Mass: 332.15650064
• SMILES: c1ccc(cc1)c1ccc(cc1)/C=C/c1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)/C=C/c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C26H20/c1-3-7-23(8-4-1)25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)24-9-5-2-6-10-24/h1-20H
• InChIKey: HXWQJYVUJPBQEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-4-[2-(4-phenylphenyl)ethenyl]benzene; 1-phenyl-4-[(E)-2-(4-phenylphenyl)ethenyl]benzene
• IUPAC Traditional name: 1-phenyl-4-[2-(4-phenylphenyl)ethenyl]benzene; 1-phenyl-4-[(E)-2-(4-phenylphenyl)ethenyl]benzene
• Synonyms: p,p'-DIPHENYLSTILBENE; DPS; 1,2-bis(p-Biphenylyl)ethylene; trans-p,p′-Diphenylstilbene; trans-4,4'-Diphenylstilbene; 1,2-双(4-联苯基)乙烯; 反-4,4′-二苯基联苯乙烯; 反-4,4'-二苯基联苯乙烯

Database IDs

• CAS Number: 2039-68-1
• EC Number: 218-018-4
• MDL Number: MFCD00003063
• Beilstein Number: 2053491
• PubChem SID: 162089301; 24893913
• PubChem CID: 5379121

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.6075377
• LogD (pH = 7.4): 7.6075377
• Log P: 7.6075377
• Molar Refractivity: 111.7852 cm^3
• Polarizability: 45.945766 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 308-310°C dec.

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 99%
• Suitability: suitable for liquid scintillation spectrometry
• Empirical Formula (Hill Notation): C26H20

DETAILS

MP Biomedicals - 05208295

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D213756

Application
Suitable as a laser dye

REFERENCES

• For scintillation work.