(3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-)

C19H14F6IOSb — CID 22073265

IUPAC(3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-)
SMILESF[Sb-](F)(F)(F)(F)F.O=C(c1ccccc1)c1cccc([I+]c2ccccc2)c1
InChIInChI=1S/C19H14IO.6FH.Sb/c21-19(15-8-3-1-4-9-15)16-10-7-13-18(14-16)20-17-11-5-2-6-12-17;;;;;;;/h1-14H;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyZTCWJWVEBVPMCT-UHFFFAOYSA-H
MW620.97 g/mol
LogP3.19
Rot. Bonds4

About (3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-)

(3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-) (PubChem CID 22073265) has the molecular formula C19H14F6IOSb and a molecular weight of 620.97 g/mol. Its IUPAC name is (3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-).

Molecular Properties

Compound Name(3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-)
PubChem CID22073265
Molecular FormulaC19H14F6IOSb
Molecular Weight620.97 g/mol
Exact Mass619.90
IUPAC Name(3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-)
SMILESF[Sb-](F)(F)(F)(F)F.O=C(c1ccccc1)c1cccc([I+]c2ccccc2)c1
InChIInChI=1S/C19H14IO.6FH.Sb/c21-19(15-8-3-1-4-9-15)16-10-7-13-18(14-16)20-17-11-5-2-6-12-17;;;;;;;/h1-14H;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyZTCWJWVEBVPMCT-UHFFFAOYSA-H
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.97
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-)?
The IUPAC name of (3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-) (CID 22073265) is (3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-).
What is the SMILES notation for (3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-)?
The canonical SMILES for (3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-) is F[Sb-](F)(F)(F)(F)F.O=C(c1ccccc1)c1cccc([I+]c2ccccc2)c1.
What is the InChIKey of (3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-)?
The InChIKey is ZTCWJWVEBVPMCT-UHFFFAOYSA-H. The full InChI is InChI=1S/C19H14IO.6FH.Sb/c21-19(15-8-3-1-4-9-15)16-10-7-13-18(14-16)20-17-11-5-2-6-12-17;;;;;;;/h1-14H;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of (3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-)?
(3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-) has a molecular weight of 620.97 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoylphenyl)-phenyliodanium;hexafluoroantimony(1-) is sourced from PubChem (CID 22073265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).