2,7-diiodo-9,9-dimethyl-9H-fluorene

• ChemBase ID: 797552
• Molecular Formular: C15H12I2
• Molecular Mass: 446.06472
• Monoisotopic Mass: 445.90284638
• SMILES: C1(c2cc(ccc2c2ccc(cc12)I)I)(C)C
• Canonical SMILES: Ic1ccc2c(c1)C(C)(C)c1c2ccc(c1)I
• InChI: InChI=1S/C15H12I2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3
• InChIKey: GYOWFFGLGGCYSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-diiodo-9,9-dimethyl-9H-fluorene
• IUPAC Traditional name: 2,7-diiodo-9,9-dimethylfluorene
• Synonyms: 9,9-Dimethyl-9H-2,7-diiodofluorene

Database IDs

• CAS Number: 144981-86-2

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1839747
• LogD (pH = 7.4): 6.1839747
• Log P: 6.1839747
• Molar Refractivity: 101.1165 cm^3
• Polarizability: 36.065464 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%