(6-phenylhexa-1,3,5-trien-1-yl)benzene

• ChemBase ID: 91225
• Molecular Formular: C18H16
• Molecular Mass: 232.31964
• Monoisotopic Mass: 232.12520051
• SMILES: C(=C\C=C\C=C\c1ccccc1)/c1ccccc1
• Canonical SMILES: C(=C\C=C\c1ccccc1)/C=C/c1ccccc1
• InChI: InChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H
• InChIKey: BOBLSBAZCVBABY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-phenylhexa-1,3,5-trien-1-yl)benzene
• IUPAC Traditional name: 1,6-diphenyl-1,3,5-hexatriene
• Synonyms: 1,6-Diphenyl-1,3,5-hexatriene; 1,6-Diphenyl-1,3,5-hexatriene; trans,trans,trans-1,6-Diphenylhexatriene; Dicinnamyl; Diphenylhexatriene; DPH; 二肉桂酰; 1,6-二苯基-1,3,5-己三烯

Database IDs

• CAS Number: 17329-15-6; 1720-32-7
• EC Number: 217-011-3
• MDL Number: MFCD00004793
• Beilstein Number: 1907440
• PubChem SID: 24866925; 24893620; 162077929
• PubChem CID: 5376733
• Wikipedia Title: Diphenylhexatriene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3675184
• LogD (pH = 7.4): 5.3675184
• Log P: 5.3675184
• Molar Refractivity: 82.15 cm^3
• Polarizability: 30.61289 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 199-203 °C; 199-203 °C(lit.); 199-203°C
• Fluorescence: λex 350 nm; λem 428 nm in phosphate buffer/SDS pH 7.0; λex 350 nm; λem 452 nm in methanol

Safety Information

• Storage Condition: 0°C
• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38; R36/37/38
• Safety Statements: 26-36; S:20-25-26-37/39; S26 S36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Main Hazard: Irritant (Xi)
• 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

• Purity: ≥97.5% (HPLC); 98%
• Grade: for fluorescence
• Linear Formula: C6H5(CH=CH)3C6H5

DETAILS

MP Biomedicals - 05213308

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157865

Crystalline
Suitable for use in liquid scintillation spectrometry.

Sigma Aldrich - D208000

Application
Used an alternative to Nile red for fluorescent detection of lipid droplets
Packaging
1, 5 g in glass bottle

Sigma Aldrich - 43050

Analysis Note
In addition to the emission maximum at 428 nm, there are lower maxima at 452 and 405 nm.
Other Notes
A useful fluorescence probe for membrane studies by fluorescence depolarisation1; Membrane fluidity by flow cytometry2