9-ethyl-3-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-9H-carbazole

• ChemBase ID: 698639
• Molecular Formular: C20H20N4
• Molecular Mass: 316.3996
• Monoisotopic Mass: 316.16879666
• SMILES: n1(c2c(c3c1cccc3)cc(C1c3nc[nH]c3CCN1)cc2)CC
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C20H20N4/c1-2-24-17-6-4-3-5-14(17)15-11-13(7-8-18(15)24)19-20-16(9-10-21-19)22-12-23-20/h3-8,11-12,19,21H,2,9-10H2,1H3,(H,22,23)
• InChIKey: RHJVTYOEYJRKPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-3-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-9H-carbazole
• IUPAC Traditional name: 9-ethyl-3-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}carbazole
• Synonyms: 9-ethyl-3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-9H-carbazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.943979
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0627148
• LogD (pH = 7.4): 2.4970176
• Log P: 2.860338
• Molar Refractivity: 96.4535 cm^3
• Polarizability: 39.41764 Å^3
• Polar Surface Area: 45.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.12
• LOG S: -4.28
• Polar Surface Area: 45.64 Å^2
• Rotatable Bonds: 2