[1,2-diphenyl-2-(2-phenyldiazen-1-yl)ethenyl](phenyl)diazene

• ChemBase ID: 138870
• Molecular Formular: C26H20N4
• Molecular Mass: 388.4638
• Monoisotopic Mass: 388.16879666
• SMILES: c1ccc(cc1)/C(=C(/N=N/c1ccccc1)\c1ccccc1)/N=N/c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C(=C(\c1ccccc1)/N=N/c1ccccc1)/N=N/c1ccccc1
• InChI: InChI=1S/C26H20N4/c1-5-13-21(14-6-1)25(29-27-23-17-9-3-10-18-23)26(22-15-7-2-8-16-22)30-28-24-19-11-4-12-20-24/h1-20H
• InChIKey: XKRDULRFCOJZHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2-diphenyl-2-(2-phenyldiazen-1-yl)ethenyl](phenyl)diazene
• IUPAC Traditional name: [1,2-diphenyl-2-(2-phenyldiazen-1-yl)ethenyl](phenyl)diazene
• Synonyms: α,β-Bis(phenylazo)stilbene, mixture of isomers; α,β-二(苯偶氮基)芪，异构体混合物

Database IDs

• CAS Number: 27652-97-7
• MDL Number: MFCD01115403
• PubChem SID: 162233121; 24873846
• PubChem CID: 12213107

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 7.355452
• LogD (pH = 7.4): 7.3571105
• Log P: 7.357132
• Molar Refractivity: 125.9452 cm^3
• Polarizability: 46.09617 Å^3
• Polar Surface Area: 49.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 162 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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

• Impurities: <10% benzil bis(phenylhydrazone)
• Linear Formula: C6H5N=NC(C6H5)=C(C6H5)N=NC6H5