10,12-dimethyl-5-azatetraphene

• ChemBase ID: 108699
• Molecular Formular: C19H15N
• Molecular Mass: 257.3291
• Monoisotopic Mass: 257.12044949
• SMILES: Cc1cc2c(C)c3ccccc3nc2c2ccccc12
• Canonical SMILES: Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3
• InChI: InChI=1S/C19H15N/c1-12-11-17-13(2)15-8-5-6-10-18(15)20-19(17)16-9-4-3-7-14(12)16/h3-11H,1-2H3
• InChIKey: XOTOELYULGNYSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10,12-dimethyl-5-azatetraphene
• IUPAC Traditional name: 10,12-dimethyl-5-azatetraphene
• Synonyms: 5,7-DIMETHYL-1,2-BENZACRIDINE

Database IDs

• CAS Number: 10567-95-0
• PubChem SID: 162094659
• PubChem CID: 25399

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.8372025
• LogD (pH = 7.4): 5.50033
• Log P: 5.5225472
• Molar Refractivity: 82.5901 cm^3
• Polarizability: 35.956314 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05208372

MP Biomedicals Rare Chemical collection