(triphenylpropa-1,2-dien-1-yl)benzene

• ChemBase ID: 108770
• Molecular Formular: C27H20
• Molecular Mass: 344.4477
• Monoisotopic Mass: 344.15650064
• SMILES: c1ccc(cc1)C(=C=C(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C(=C=C(c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C27H20/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H
• InChIKey: IFDRDSWHWMTLKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (triphenylpropa-1,2-dien-1-yl)benzene
• IUPAC Traditional name: (triphenylpropa-1,2-dien-1-yl)benzene
• Synonyms: TETRAPHENYLALLENE

Database IDs

• CAS Number: 1674-18-6
• PubChem SID: 162094188
• PubChem CID: 74290

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.416406
• LogD (pH = 7.4): 7.416406
• Log P: 7.416406
• Molar Refractivity: 132.8999 cm^3
• Polarizability: 44.23145 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05208651

MP Biomedicals Rare Chemical collection