[chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane

C72H60As6Cl6F6I6O12 — CID 168852043

IUPAC[chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane
SMILESO=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1
InChIInChI=1S/6C12H10AsClFIO2/c6*14-13(15,17)18-16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h6*1-10H
InChIKeyLSVZKXWCTWCKSJ-UHFFFAOYSA-N
MW2654.92 g/mol
LogP25.43
Rot. Bonds24

About [chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane

[chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane (PubChem CID 168852043) has the molecular formula C72H60As6Cl6F6I6O12 and a molecular weight of 2654.92 g/mol. Its IUPAC name is [chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane.

Molecular Properties

Compound Name[chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane
PubChem CID168852043
Molecular FormulaC72H60As6Cl6F6I6O12
Molecular Weight2654.92 g/mol
Exact Mass2651.17
IUPAC Name[chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane
SMILESO=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1
InChIInChI=1S/6C12H10AsClFIO2/c6*14-13(15,17)18-16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h6*1-10H
InChIKeyLSVZKXWCTWCKSJ-UHFFFAOYSA-N
XLogP25.43
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002654.92
LogP ≤ 525.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 [chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane?
The IUPAC name of [chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane (CID 168852043) is [chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane.
What is the SMILES notation for [chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane?
The canonical SMILES for [chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane is O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.O=[As](F)(Cl)OI(c1ccccc1)c1ccccc1.
What is the InChIKey of [chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane?
The InChIKey is LSVZKXWCTWCKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H10AsClFIO2/c6*14-13(15,17)18-16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h6*1-10H.
What are the key properties of [chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane?
[chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane has a molecular weight of 2654.92 g/mol, XLogP of 25.43, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(fluoro)arsoryl]oxy-diphenyl-λ3-iodane is sourced from PubChem (CID 168852043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).