bis(2H5)phenyl(2H8)anthracene

• ChemBase ID: 136404
• Molecular Formular: C26H18
• Molecular Mass: 330.42112
• Monoisotopic Mass: 330.14085058
• SMILES: c1ccc(cc1)c1c2ccccc2c(c2c1cccc2)c1ccccc1
• Canonical SMILES: c1ccc2c(c1)c(c1ccccc1)c1c(c2c2ccccc2)cccc1
• InChI: InChI=1S/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H
• InChIKey: FCNCGHJSNVOIKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(^2H₅)phenyl(^2H₈)anthracene
• IUPAC Traditional name: bis(^2H₅)phenyl(^2H₈)anthracene
• Synonyms: 9,10-Diphenylanthracene-d18

Database IDs

• MDL Number: MFCD18785735
• PubChem SID: 162230674
• PubChem CID: 71309780

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.24665
• LogD (pH = 7.4): 7.24665
• Log P: 7.24665
• Molar Refractivity: 109.2308 cm^3
• Polarizability: 48.181908 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 245-248 °C(lit.)
• Mass Shift: M+18

Safety Information

• German water hazard class: 2

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 348.17 by atom % calculation
• Empirical Formula (Hill Notation): C26D18

DETAILS

Sigma Aldrich - 722642

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.