3-iodo-9-phenyl-9H-carbazole

• ChemBase ID: 798712
• Molecular Formular: C18H12IN
• Molecular Mass: 369.19905
• Monoisotopic Mass: 369.00144739
• SMILES: c1ccc2c(c1)n(c1ccc(cc21)I)c1ccccc1
• Canonical SMILES: Ic1ccc2c(c1)c1ccccc1n2c1ccccc1
• InChI: InChI=1S/C18H12IN/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H
• InChIKey: PJUAIXDOXUXBDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodo-9-phenyl-9H-carbazole
• IUPAC Traditional name: 3-iodo-9-phenylcarbazole
• Synonyms: 3-iodo-9-phenylcarbazole

Database IDs

• CAS Number: 502161-03-7

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9014645
• LogD (pH = 7.4): 5.9014645
• Log P: 5.9014645
• Molar Refractivity: 101.8283 cm^3
• Polarizability: 38.19374 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%