3,6-diiodo-9-(oxiran-2-ylmethyl)-9H-carbazole

• ChemBase ID: 79801
• Molecular Formular: C15H11I2NO
• Molecular Mass: 475.06288
• Monoisotopic Mass: 474.89300998
• SMILES: n1(c2c(cc(cc2)I)c2cc(ccc12)I)CC1OC1
• Canonical SMILES: Ic1ccc2c(c1)c1cc(I)ccc1n2CC1CO1
• InChI: InChI=1S/C15H11I2NO/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11-8-19-11/h1-6,11H,7-8H2
• InChIKey: BHJISVJRQDUPTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-diiodo-9-(oxiran-2-ylmethyl)-9H-carbazole
• IUPAC Traditional name: 3,6-diiodo-9-(oxiran-2-ylmethyl)carbazole
• Synonyms: 3,6-diiodo-9-(oxiran-2-ylmethyl)-9H-carbazole

Database IDs

• MDL Number: MFCD00218299
• PubChem SID: 162044564
• PubChem CID: 2775475

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.013717
• LogD (pH = 7.4): 5.013717
• Log P: 5.013717
• Molar Refractivity: 93.8386 cm^3
• Polarizability: 38.533546 Å^3
• Polar Surface Area: 17.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false