(2H12)triphenylene

• ChemBase ID: 139737
• Molecular Formular: C18H12
• Molecular Mass: 228.28788
• Monoisotopic Mass: 228.09390038
• SMILES: c1ccc2c(c1)c1ccccc1c1c2cccc1
• Canonical SMILES: c1ccc2c(c1)c1ccccc1c1c2cccc1
• InChI: InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
• InChIKey: SLGBZMMZGDRARJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₁₂)triphenylene
• IUPAC Traditional name: (^2H₁₂)triphenylene
• Synonyms: Triphenylene-d12; 三亚苯-d12

Database IDs

• MDL Number: MFCD00145465
• PubChem SID: 24874811; 162233985
• PubChem CID: 16213874

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.941676
• LogD (pH = 7.4): 4.941676
• Log P: 4.941676
• Molar Refractivity: 75.4086 cm^3
• Polarizability: 33.53865 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+12

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 240.13 by atom % calculation
• Empirical Formula (Hill Notation): C18D12

DETAILS

Sigma Aldrich - 616362

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.