10-bromo-N,N-diphenylanthracen-9-amine

• ChemBase ID: 180523
• Molecular Formular: C26H18BrN
• Molecular Mass: 424.33182
• Monoisotopic Mass: 423.06226158
• SMILES: c1cccc2c(c3ccccc3c(c12)Br)N(c1ccccc1)c1ccccc1
• Canonical SMILES: Brc1c2ccccc2c(c2c1cccc2)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H18BrN/c27-25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)28(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18H
• InChIKey: HYGSOGNXTHMJCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-bromo-N,N-diphenylanthracen-9-amine
• IUPAC Traditional name: 10-bromo-N,N-diphenylanthracen-9-amine
• Synonyms: 9-Bromo-10-(N,N-diphenylamino)anthracene

Database IDs

• CAS Number: 368868-94-4
• PubChem SID: 164236433
• PubChem CID: 71753086

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.042512
• LogD (pH = 7.4): 8.042512
• Log P: 8.042512
• Molar Refractivity: 119.7417 cm^3
• Polarizability: 48.370785 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false