hexakis(diphenyliodanium);fluoroarsinate

C72H66As6F6I6O12 — CID 173377411

IUPAChexakis(diphenyliodanium);fluoroarsinate
SMILESO=[AsH]([O-])F.O=[AsH]([O-])F.O=[AsH]([O-])F.O=[AsH]([O-])F.O=[AsH]([O-])F.O=[AsH]([O-])F.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/6C12H10I.6AsFH2O2/c6*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;6*2-1(3)4/h6*1-10H;6*1H,(H,3,4)/q6*+1;;;;;;/p-6
InChIKeyPJGJSNJMULCWLR-UHFFFAOYSA-H
MW2448.25 g/mol
LogP-10.33
Rot. Bonds12

About hexakis(diphenyliodanium);fluoroarsinate

hexakis(diphenyliodanium);fluoroarsinate (PubChem CID 173377411) has the molecular formula C72H66As6F6I6O12 and a molecular weight of 2448.25 g/mol. Its IUPAC name is hexakis(diphenyliodanium);fluoroarsinate.

Molecular Properties

Compound Namehexakis(diphenyliodanium);fluoroarsinate
PubChem CID173377411
Molecular FormulaC72H66As6F6I6O12
Molecular Weight2448.25 g/mol
Exact Mass2447.40
IUPAC Namehexakis(diphenyliodanium);fluoroarsinate
SMILESO=[AsH]([O-])F.O=[AsH]([O-])F.O=[AsH]([O-])F.O=[AsH]([O-])F.O=[AsH]([O-])F.O=[AsH]([O-])F.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/6C12H10I.6AsFH2O2/c6*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;6*2-1(3)4/h6*1-10H;6*1H,(H,3,4)/q6*+1;;;;;;/p-6
InChIKeyPJGJSNJMULCWLR-UHFFFAOYSA-H
XLogP-10.33
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002448.25
LogP ≤ 5-10.33
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 hexakis(diphenyliodanium);fluoroarsinate?
The IUPAC name of hexakis(diphenyliodanium);fluoroarsinate (CID 173377411) is hexakis(diphenyliodanium);fluoroarsinate.
What is the SMILES notation for hexakis(diphenyliodanium);fluoroarsinate?
The canonical SMILES for hexakis(diphenyliodanium);fluoroarsinate is O=[AsH]([O-])F.O=[AsH]([O-])F.O=[AsH]([O-])F.O=[AsH]([O-])F.O=[AsH]([O-])F.O=[AsH]([O-])F.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of hexakis(diphenyliodanium);fluoroarsinate?
The InChIKey is PJGJSNJMULCWLR-UHFFFAOYSA-H. The full InChI is InChI=1S/6C12H10I.6AsFH2O2/c6*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;6*2-1(3)4/h6*1-10H;6*1H,(H,3,4)/q6*+1;;;;;;/p-6.
What are the key properties of hexakis(diphenyliodanium);fluoroarsinate?
hexakis(diphenyliodanium);fluoroarsinate has a molecular weight of 2448.25 g/mol, XLogP of -10.33, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(diphenyliodanium);fluoroarsinate is sourced from PubChem (CID 173377411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).