triphenylstannyl benzoate

C25H20O2Sn — CID 16684201

IUPACtriphenylstannyl benzoate
SMILESO=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C7H6O2.3C6H5.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h1-5H,(H,8,9);3*1-5H;/q;;;;+1/p-1
InChIKeyRUCJDJBHYCEOKH-UHFFFAOYSA-M
MW471.14 g/mol
LogP3.51
Rot. Bonds5

About triphenylstannyl benzoate

triphenylstannyl benzoate (PubChem CID 16684201) has the molecular formula C25H20O2Sn and a molecular weight of 471.14 g/mol. Its IUPAC name is triphenylstannyl benzoate.

Molecular Properties

Compound Nametriphenylstannyl benzoate
PubChem CID16684201
Molecular FormulaC25H20O2Sn
Molecular Weight471.14 g/mol
Exact Mass472.05
IUPAC Nametriphenylstannyl benzoate
SMILESO=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C7H6O2.3C6H5.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h1-5H,(H,8,9);3*1-5H;/q;;;;+1/p-1
InChIKeyRUCJDJBHYCEOKH-UHFFFAOYSA-M
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.14
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of triphenylstannyl benzoate?
The IUPAC name of triphenylstannyl benzoate (CID 16684201) is triphenylstannyl benzoate.
What is the SMILES notation for triphenylstannyl benzoate?
The canonical SMILES for triphenylstannyl benzoate is O=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylstannyl benzoate?
The InChIKey is RUCJDJBHYCEOKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.3C6H5.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h1-5H,(H,8,9);3*1-5H;/q;;;;+1/p-1.
What are the key properties of triphenylstannyl benzoate?
triphenylstannyl benzoate has a molecular weight of 471.14 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl benzoate is sourced from PubChem (CID 16684201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).