1,2,3-triphenylbenzene

• ChemBase ID: 151157
• Molecular Formular: C24H18
• Molecular Mass: 306.39972
• Monoisotopic Mass: 306.14085058
• SMILES: c1ccc(cc1)c1cccc(c1c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1c(cccc1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H18/c1-4-11-19(12-5-1)22-17-10-18-23(20-13-6-2-7-14-20)24(22)21-15-8-3-9-16-21/h1-18H
• InChIKey: CHBDXRNMDNRJJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-triphenylbenzene
• IUPAC Traditional name: 1,2,3-triphenylbenzene
• Synonyms: 1,2,3-Triphenylbenzene; 1,2,3-三苯基苯

Database IDs

• CAS Number: 1165-14-6
• MDL Number: MFCD00003056
• PubChem SID: 162245315; 24856717
• PubChem CID: 296823

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.9149218
• LogD (pH = 7.4): 6.9149218
• Log P: 6.9149218
• Molar Refractivity: 101.4666 cm^3
• Polarizability: 43.852707 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 157-159 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: (C6H5)3C6H3

DETAILS

Sigma Aldrich - 276774

Packaging
1 g in glass bottle