diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium

C24H16I3OS+ — CID 153464220

IUPACdiphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium
SMILESIc1cc(I)c(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(I)c1
InChIInChI=1S/C24H16I3OS/c25-17-15-22(26)24(23(27)16-17)28-18-11-13-21(14-12-18)29(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16H/q+1
InChIKeyWWTFDSYQSMBOQS-UHFFFAOYSA-N
MW733.17 g/mol
LogP8.39
Rot. Bonds5

About diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium

diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium (PubChem CID 153464220) has the molecular formula C24H16I3OS+ and a molecular weight of 733.17 g/mol. Its IUPAC name is diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium.

Molecular Properties

Compound Namediphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium
PubChem CID153464220
Molecular FormulaC24H16I3OS+
Molecular Weight733.17 g/mol
Exact Mass732.81
IUPAC Namediphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium
SMILESIc1cc(I)c(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(I)c1
InChIInChI=1S/C24H16I3OS/c25-17-15-22(26)24(23(27)16-17)28-18-11-13-21(14-12-18)29(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16H/q+1
InChIKeyWWTFDSYQSMBOQS-UHFFFAOYSA-N
XLogP8.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.17
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

(4-Phenoxyphenyl)diphenylsulfonium triflate
CID 16213833
1-Phenylsulfanyl-4-prop-2-enoxybenzene
CID 10562151
(4-Phenoxyphenyl)-diphenylsulfanium
CID 4296458
Bis[4-(4-fluorophenylsulfonyl)phenyl] ether
CID 20391979
1-Phenoxy-4-phenylthio-butane
CID 143658
Benzene, 1,1'-thiobis[3-phenoxy-
CID 81841
Benzene, 1-phenoxy-3-[[3-(phenylthio)phenyl]thio]-
CID 81842
Benzene, 1-phenoxy-3-(phenylthio)-
CID 81843
2-[4-(2-Diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane
CID 11284267
(4-Phenoxyphenyl) thiocyanate
CID 155935469
Benzene, 1,1'-sulfonylbis[4-(4-methoxyphenoxy)-
CID 1106874
Methyl(4-phenoxyphenyl)sulfane
CID 10488923

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium?
The IUPAC name of diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium (CID 153464220) is diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium.
What is the SMILES notation for diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium?
The canonical SMILES for diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium is Ic1cc(I)c(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(I)c1.
What is the InChIKey of diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium?
The InChIKey is WWTFDSYQSMBOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16I3OS/c25-17-15-22(26)24(23(27)16-17)28-18-11-13-21(14-12-18)29(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16H/q+1.
What are the key properties of diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium?
diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium has a molecular weight of 733.17 g/mol, XLogP of 8.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-(2,4,6-triiodophenoxy)phenyl]sulfanium is sourced from PubChem (CID 153464220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).