phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium

C15H15Cl3I2Si+2 — CID 88934252

IUPACphenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium
SMILESCl[Si](Cl)(Cl)CCC[I+]c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C15H15Cl3I2Si/c16-21(17,18)12-4-11-19-13-7-9-15(10-8-13)20-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2/q+2
InChIKeyORAGMIUZKAFQCC-UHFFFAOYSA-N
MW583.54 g/mol
LogP-0.88
Rot. Bonds7

About phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium

phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium (PubChem CID 88934252) has the molecular formula C15H15Cl3I2Si+2 and a molecular weight of 583.54 g/mol. Its IUPAC name is phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium.

Molecular Properties

Compound Namephenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium
PubChem CID88934252
Molecular FormulaC15H15Cl3I2Si+2
Molecular Weight583.54 g/mol
Exact Mass581.81
IUPAC Namephenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium
SMILESCl[Si](Cl)(Cl)CCC[I+]c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C15H15Cl3I2Si/c16-21(17,18)12-4-11-19-13-7-9-15(10-8-13)20-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2/q+2
InChIKeyORAGMIUZKAFQCC-UHFFFAOYSA-N
XLogP-0.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.54
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethylpentyl-(4-phenyliodoniophenyl)iodanium
CID 88934264
butyl(phenyl)iodanium
CID 87304112
diphenyliodanium;hydroiodide
CID 54604341
trichloro(5-phenylpentyl)silane
CID 59465093
diphenyliodanium;ethane;methane
CID 159636739
(4-bromophenyl)-phenyliodanium
CID 6332504
[4-(hydroxymethyl)phenyl]-phenyliodanium
CID 140809539
trichloro-[3-(4-phenylphenyl)propyl]silane
CID 69458653
butyl(trichloro)silane;dichloro(diphenyl)silane
CID 67532832
(4-octylphenyl)-phenyliodanium
CID 16696664
butyl(triphenyl)boranuide;diphenyliodanium
CID 10962913
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium?
The IUPAC name of phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium (CID 88934252) is phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium.
What is the SMILES notation for phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium?
The canonical SMILES for phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium is Cl[Si](Cl)(Cl)CCC[I+]c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium?
The InChIKey is ORAGMIUZKAFQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3I2Si/c16-21(17,18)12-4-11-19-13-7-9-15(10-8-13)20-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2/q+2.
What are the key properties of phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium?
phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium has a molecular weight of 583.54 g/mol, XLogP of -0.88, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(3-trichlorosilylpropyliodonio)phenyl]iodanium is sourced from PubChem (CID 88934252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).