(tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate

C34H27O3SSb — CID 16691158

IUPAC(tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate
SMILESO=S(=O)(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C10H8O3S.4C6H5.Sb/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;4*1-2-4-6-5-3-1;/h1-7H,(H,11,12,13);4*1-5H;/q;;;;;+1/p-1
InChIKeyWYQNKRCNTFCTKI-UHFFFAOYSA-M
MW637.41 g/mol
LogP5.07
Rot. Bonds7

About (tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate

(tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate (PubChem CID 16691158) has the molecular formula C34H27O3SSb and a molecular weight of 637.41 g/mol. Its IUPAC name is (tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate.

Molecular Properties

Compound Name(tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate
PubChem CID16691158
Molecular FormulaC34H27O3SSb
Molecular Weight637.41 g/mol
Exact Mass636.07
IUPAC Name(tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate
SMILESO=S(=O)(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C10H8O3S.4C6H5.Sb/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;4*1-2-4-6-5-3-1;/h1-7H,(H,11,12,13);4*1-5H;/q;;;;;+1/p-1
InChIKeyWYQNKRCNTFCTKI-UHFFFAOYSA-M
XLogP5.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.41
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate?
The IUPAC name of (tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate (CID 16691158) is (tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate.
What is the SMILES notation for (tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate?
The canonical SMILES for (tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate is O=S(=O)(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate?
The InChIKey is WYQNKRCNTFCTKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O3S.4C6H5.Sb/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;4*1-2-4-6-5-3-1;/h1-7H,(H,11,12,13);4*1-5H;/q;;;;;+1/p-1.
What are the key properties of (tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate?
(tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate has a molecular weight of 637.41 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate is sourced from PubChem (CID 16691158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).