(5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium

C22H22IOSi+ — CID 101077310

IUPAC(5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium
SMILESC[Si](C)(C)c1ccc(C(=O)c2ccccc2)cc1[I+]c1ccccc1
InChIInChI=1S/C22H22IOSi/c1-25(2,3)21-15-14-18(22(24)17-10-6-4-7-11-17)16-20(21)23-19-12-8-5-9-13-19/h4-16H,1-3H3/q+1
InChIKeyXOVFLDBXFDVRJV-UHFFFAOYSA-N
MW457.41 g/mol
LogP1.59
Rot. Bonds5

About (5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium

(5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium (PubChem CID 101077310) has the molecular formula C22H22IOSi+ and a molecular weight of 457.41 g/mol. Its IUPAC name is (5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium.

Molecular Properties

Compound Name(5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium
PubChem CID101077310
Molecular FormulaC22H22IOSi+
Molecular Weight457.41 g/mol
Exact Mass457.05
IUPAC Name(5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium
SMILESC[Si](C)(C)c1ccc(C(=O)c2ccccc2)cc1[I+]c1ccccc1
InChIInChI=1S/C22H22IOSi/c1-25(2,3)21-15-14-18(22(24)17-10-6-4-7-11-17)16-20(21)23-19-12-8-5-9-13-19/h4-16H,1-3H3/q+1
InChIKeyXOVFLDBXFDVRJV-UHFFFAOYSA-N
XLogP1.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 51.59
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 (5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium?
The IUPAC name of (5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium (CID 101077310) is (5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium.
What is the SMILES notation for (5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium?
The canonical SMILES for (5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium is C[Si](C)(C)c1ccc(C(=O)c2ccccc2)cc1[I+]c1ccccc1.
What is the InChIKey of (5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium?
The InChIKey is XOVFLDBXFDVRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22IOSi/c1-25(2,3)21-15-14-18(22(24)17-10-6-4-7-11-17)16-20(21)23-19-12-8-5-9-13-19/h4-16H,1-3H3/q+1.
What are the key properties of (5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium?
(5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium has a molecular weight of 457.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyl-2-trimethylsilylphenyl)-phenyliodanium is sourced from PubChem (CID 101077310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).