[triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate

C30H23N2O4Sb — CID 16696457

IUPAC[triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate
SMILESO=C(O[Sb](OC(=O)c1cccnc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/2C6H5NO2.3C6H5.Sb/c2*8-6(9)5-2-1-3-7-4-5;3*1-2-4-6-5-3-1;/h2*1-4H,(H,8,9);3*1-5H;/q;;;;;+2/p-2
InChIKeyCSXMGJYADYCRIZ-UHFFFAOYSA-L
MW597.28 g/mol
LogP3.61
Rot. Bonds7

About [triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate

[triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate (PubChem CID 16696457) has the molecular formula C30H23N2O4Sb and a molecular weight of 597.28 g/mol. Its IUPAC name is [triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate
PubChem CID16696457
Molecular FormulaC30H23N2O4Sb
Molecular Weight597.28 g/mol
Exact Mass596.07
IUPAC Name[triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate
SMILESO=C(O[Sb](OC(=O)c1cccnc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/2C6H5NO2.3C6H5.Sb/c2*8-6(9)5-2-1-3-7-4-5;3*1-2-4-6-5-3-1;/h2*1-4H,(H,8,9);3*1-5H;/q;;;;;+2/p-2
InChIKeyCSXMGJYADYCRIZ-UHFFFAOYSA-L
XLogP3.61
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate?
The IUPAC name of [triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate (CID 16696457) is [triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate.
What is the SMILES notation for [triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate?
The canonical SMILES for [triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate is O=C(O[Sb](OC(=O)c1cccnc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1.
What is the InChIKey of [triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate?
The InChIKey is CSXMGJYADYCRIZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5NO2.3C6H5.Sb/c2*8-6(9)5-2-1-3-7-4-5;3*1-2-4-6-5-3-1;/h2*1-4H,(H,8,9);3*1-5H;/q;;;;;+2/p-2.
What are the key properties of [triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate?
[triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate has a molecular weight of 597.28 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [triphenyl(pyridine-3-carbonyloxy)-λ5-stibanyl] pyridine-3-carboxylate is sourced from PubChem (CID 16696457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).