diphenyl-sulfo-(3-sulfophenyl)phosphanium

C18H16O6PS2+ — CID 19877665

IUPACdiphenyl-sulfo-(3-sulfophenyl)phosphanium
SMILESO=S(=O)(O)c1cccc([P+](c2ccccc2)(c2ccccc2)S(=O)(=O)O)c1
InChIInChI=1S/C18H15O6PS2/c19-26(20,21)18-13-7-12-17(14-18)25(27(22,23)24,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H,(H-,19,20,21,22,23,24)/p+1
InChIKeyXOOFDSNOUOOIKQ-UHFFFAOYSA-O
MW423.43 g/mol
LogP2.03
Rot. Bonds5

About diphenyl-sulfo-(3-sulfophenyl)phosphanium

diphenyl-sulfo-(3-sulfophenyl)phosphanium (PubChem CID 19877665) has the molecular formula C18H16O6PS2+ and a molecular weight of 423.43 g/mol. Its IUPAC name is diphenyl-sulfo-(3-sulfophenyl)phosphanium.

Molecular Properties

Compound Namediphenyl-sulfo-(3-sulfophenyl)phosphanium
PubChem CID19877665
Molecular FormulaC18H16O6PS2+
Molecular Weight423.43 g/mol
Exact Mass423.01
IUPAC Namediphenyl-sulfo-(3-sulfophenyl)phosphanium
SMILESO=S(=O)(O)c1cccc([P+](c2ccccc2)(c2ccccc2)S(=O)(=O)O)c1
InChIInChI=1S/C18H15O6PS2/c19-26(20,21)18-13-7-12-17(14-18)25(27(22,23)24,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H,(H-,19,20,21,22,23,24)/p+1
InChIKeyXOOFDSNOUOOIKQ-UHFFFAOYSA-O
XLogP2.03
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenyl-sulfo-(3-sulfophenyl)phosphanium?
The IUPAC name of diphenyl-sulfo-(3-sulfophenyl)phosphanium (CID 19877665) is diphenyl-sulfo-(3-sulfophenyl)phosphanium.
What is the SMILES notation for diphenyl-sulfo-(3-sulfophenyl)phosphanium?
The canonical SMILES for diphenyl-sulfo-(3-sulfophenyl)phosphanium is O=S(=O)(O)c1cccc([P+](c2ccccc2)(c2ccccc2)S(=O)(=O)O)c1.
What is the InChIKey of diphenyl-sulfo-(3-sulfophenyl)phosphanium?
The InChIKey is XOOFDSNOUOOIKQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15O6PS2/c19-26(20,21)18-13-7-12-17(14-18)25(27(22,23)24,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H,(H-,19,20,21,22,23,24)/p+1.
What are the key properties of diphenyl-sulfo-(3-sulfophenyl)phosphanium?
diphenyl-sulfo-(3-sulfophenyl)phosphanium has a molecular weight of 423.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-sulfo-(3-sulfophenyl)phosphanium is sourced from PubChem (CID 19877665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).