tribenzoyloxyplumbyl benzoate

C28H20O8Pb — CID 16688702

IUPACtribenzoyloxyplumbyl benzoate
SMILESO=C(O[Pb](OC(=O)c1ccccc1)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/4C7H6O2.Pb/c4*8-7(9)6-4-2-1-3-5-6;/h4*1-5H,(H,8,9);/q;;;;+4/p-4
InChIKeyRBRINEDTLGGHNN-UHFFFAOYSA-J
MW691.66 g/mol
LogP4.85
Rot. Bonds8

About tribenzoyloxyplumbyl benzoate

tribenzoyloxyplumbyl benzoate (PubChem CID 16688702) has the molecular formula C28H20O8Pb and a molecular weight of 691.66 g/mol. Its IUPAC name is tribenzoyloxyplumbyl benzoate.

Molecular Properties

Compound Nametribenzoyloxyplumbyl benzoate
PubChem CID16688702
Molecular FormulaC28H20O8Pb
Molecular Weight691.66 g/mol
Exact Mass692.09
IUPAC Nametribenzoyloxyplumbyl benzoate
SMILESO=C(O[Pb](OC(=O)c1ccccc1)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/4C7H6O2.Pb/c4*8-7(9)6-4-2-1-3-5-6;/h4*1-5H,(H,8,9);/q;;;;+4/p-4
InChIKeyRBRINEDTLGGHNN-UHFFFAOYSA-J
XLogP4.85
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500691.66
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tribenzoyloxyplumbyl benzoate?
The IUPAC name of tribenzoyloxyplumbyl benzoate (CID 16688702) is tribenzoyloxyplumbyl benzoate.
What is the SMILES notation for tribenzoyloxyplumbyl benzoate?
The canonical SMILES for tribenzoyloxyplumbyl benzoate is O=C(O[Pb](OC(=O)c1ccccc1)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of tribenzoyloxyplumbyl benzoate?
The InChIKey is RBRINEDTLGGHNN-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H6O2.Pb/c4*8-7(9)6-4-2-1-3-5-6;/h4*1-5H,(H,8,9);/q;;;;+4/p-4.
What are the key properties of tribenzoyloxyplumbyl benzoate?
tribenzoyloxyplumbyl benzoate has a molecular weight of 691.66 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzoyloxyplumbyl benzoate is sourced from PubChem (CID 16688702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).