diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate

C30H23Cl2IO9S — CID 87706296

IUPACdiphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc([I+]c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H23IOS.2ClHO4/c1-4-10-24(11-5-1)31-25-16-18-26(19-17-25)32-27-20-22-30(23-21-27)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29;2*2-1(3,4)5/h1-23H;2*(H,2,3,4,5)/q+2;;/p-2
InChIKeyWIJODHZCUUVVBW-UHFFFAOYSA-L
MW757.38 g/mol
LogP-4.81
Rot. Bonds7

About diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate

diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate (PubChem CID 87706296) has the molecular formula C30H23Cl2IO9S and a molecular weight of 757.38 g/mol. Its IUPAC name is diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate.

Molecular Properties

Compound Namediphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate
PubChem CID87706296
Molecular FormulaC30H23Cl2IO9S
Molecular Weight757.38 g/mol
Exact Mass755.95
IUPAC Namediphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc([I+]c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H23IOS.2ClHO4/c1-4-10-24(11-5-1)31-25-16-18-26(19-17-25)32-27-20-22-30(23-21-27)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29;2*2-1(3,4)5/h1-23H;2*(H,2,3,4,5)/q+2;;/p-2
InChIKeyWIJODHZCUUVVBW-UHFFFAOYSA-L
XLogP-4.81
TPSA193.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500757.38
LogP ≤ 5-4.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate?
The IUPAC name of diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate (CID 87706296) is diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate.
What is the SMILES notation for diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate?
The canonical SMILES for diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc([I+]c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate?
The InChIKey is WIJODHZCUUVVBW-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H23IOS.2ClHO4/c1-4-10-24(11-5-1)31-25-16-18-26(19-17-25)32-27-20-22-30(23-21-27)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29;2*2-1(3,4)5/h1-23H;2*(H,2,3,4,5)/q+2;;/p-2.
What are the key properties of diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate?
diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate has a molecular weight of 757.38 g/mol, XLogP of -4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate is sourced from PubChem (CID 87706296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).