(triphenylmethyl)benzene

• ChemBase ID: 50517
• Molecular Formular: C25H20
• Molecular Mass: 320.4263
• Monoisotopic Mass: 320.15650064
• SMILES: c1(C(c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1
• Canonical SMILES: c1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
• InChIKey: PEQHIRFAKIASBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (triphenylmethyl)benzene
• IUPAC Traditional name: tetraphenylmethane
• Synonyms: Tetraphenylmethane; Tetraphenylmethane; 四苯基甲烷

Database IDs

• CAS Number: 630-76-2
• EC Number: 211-144-0
• MDL Number: MFCD00014428
• Beilstein Number: 1913557
• PubChem SID: 162055280
• PubChem CID: 12424
• Wikipedia Title: Tetraphenylmethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.919714
• LogD (pH = 7.4): 6.919714
• Log P: 6.919714
• Molar Refractivity: 105.0089 cm^3
• Polarizability: 41.088764 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Melting Point: 272 °C; 280-285°C; 280-285°C
• Boiling Point: 431°C; 431°C

Safety Information

• Storage Warning: IRRITANT
• RTECS: PB4050000
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 96%; 97%
• Empirical Formula (Hill Notation): C25H20

DETAILS

MP Biomedicals - 05206846

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T26506

Application
Used to prepare a tetrapyridone tecton that forms a diamondoid network with large internal chambers.1