1,3,5-triphenylbenzene

• ChemBase ID: 91838
• Molecular Formular: C24H18
• Molecular Mass: 306.39972
• Monoisotopic Mass: 306.14085058
• SMILES: c1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1cc(cc(c1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-18H
• InChIKey: SXWIAEOZZQADEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-triphenylbenzene
• IUPAC Traditional name: 1,3,5-triphenylbenzene
• Synonyms: 1,3,5-Triphenylbenzene; 1,3,5-Triphenylbenzene; 5'-Phenyl-1,1':3',1''-terphenyl; 1,3,5-三苯基苯

Database IDs

• CAS Number: 612-71-5
• EC Number: 210-318-3
• MDL Number: MFCD00003060
• PubChem SID: 24867748; 162078536; 24900511
• PubChem CID: 11930

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: 43.848427 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 172-174 °C(lit.); 172-174°C; 172-174°C
• Boiling Point: 460 °C(lit.); 460°C; 460°C

Safety Information

• Storage Warning: Irritant
• RTECS: WZ6530000
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 98%; 99+%
• Grade: analytical standard
• Packaging: ampule of 1000 mg
• Linear Formula: (C6H5)3C6H3

DETAILS

MP Biomedicals - 05219525

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T82007

Packaging
100 g in poly bottle
5 g in glass bottle