3-[(4-methoxyphenyl)(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

• ChemBase ID: 180805
• Molecular Formular: C26H24N2O
• Molecular Mass: 380.48156
• Monoisotopic Mass: 380.1888634
• SMILES: c1(c([nH]c2c1cccc2)C)C(c1c([nH]c2c1cccc2)C)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(c1c(C)[nH]c2c1cccc2)c1c(C)[nH]c2c1cccc2
• InChI: InChI=1S/C26H24N2O/c1-16-24(20-8-4-6-10-22(20)27-16)26(18-12-14-19(29-3)15-13-18)25-17(2)28-23-11-7-5-9-21(23)25/h4-15,26-28H,1-3H3
• InChIKey: BCOAQHQEKHGLOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-methoxyphenyl)(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
• IUPAC Traditional name: 3-[(4-methoxyphenyl)(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

Database IDs

• PubChem SID: 164236715
• PubChem CID: 2849244

CALCULATED PROPERTIES

• Acid pKa: 16.220467
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 5.924838
• LogD (pH = 7.4): 5.924838
• Log P: 5.924838
• Molar Refractivity: 119.3744 cm^3
• Polarizability: 47.925663 Å^3
• Polar Surface Area: 40.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds