[benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate

C32H25O4Sb — CID 16685126

IUPAC[benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate
SMILESO=C(O[Sb](OC(=O)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/2C7H6O2.3C6H5.Sb/c2*8-7(9)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);3*1-5H;/q;;;;;+2/p-2
InChIKeyTUWAYFRMQJZRFR-UHFFFAOYSA-L
MW595.31 g/mol
LogP4.82
Rot. Bonds7

About [benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate

[benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate (PubChem CID 16685126) has the molecular formula C32H25O4Sb and a molecular weight of 595.31 g/mol. Its IUPAC name is [benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate.

Molecular Properties

Compound Name[benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate
PubChem CID16685126
Molecular FormulaC32H25O4Sb
Molecular Weight595.31 g/mol
Exact Mass594.08
IUPAC Name[benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate
SMILESO=C(O[Sb](OC(=O)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/2C7H6O2.3C6H5.Sb/c2*8-7(9)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);3*1-5H;/q;;;;;+2/p-2
InChIKeyTUWAYFRMQJZRFR-UHFFFAOYSA-L
XLogP4.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.31
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate?
The IUPAC name of [benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate (CID 16685126) is [benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate.
What is the SMILES notation for [benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate?
The canonical SMILES for [benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate is O=C(O[Sb](OC(=O)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate?
The InChIKey is TUWAYFRMQJZRFR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2.3C6H5.Sb/c2*8-7(9)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);3*1-5H;/q;;;;;+2/p-2.
What are the key properties of [benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate?
[benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate has a molecular weight of 595.31 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyloxy(triphenyl)-lambda5-stibanyl] benzoate is sourced from PubChem (CID 16685126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).