bis(dimethylcarbamic acid);triphenylstibane

C24H29N2O4Sb — CID 10075653

IUPACbis(dimethylcarbamic acid);triphenylstibane
SMILESCN(C)C(=O)O.CN(C)C(=O)O.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.2C3H7NO2.Sb/c3*1-2-4-6-5-3-1;2*1-4(2)3(5)6;/h3*1-5H;2*1-2H3,(H,5,6);
InChIKeyXSPYLXPGVIRUIV-UHFFFAOYSA-N
MW531.27 g/mol
LogP2.65
Rot. Bonds3

About bis(dimethylcarbamic acid);triphenylstibane

bis(dimethylcarbamic acid);triphenylstibane (PubChem CID 10075653) has the molecular formula C24H29N2O4Sb and a molecular weight of 531.27 g/mol. Its IUPAC name is bis(dimethylcarbamic acid);triphenylstibane.

Molecular Properties

Compound Namebis(dimethylcarbamic acid);triphenylstibane
PubChem CID10075653
Molecular FormulaC24H29N2O4Sb
Molecular Weight531.27 g/mol
Exact Mass530.12
IUPAC Namebis(dimethylcarbamic acid);triphenylstibane
SMILESCN(C)C(=O)O.CN(C)C(=O)O.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.2C3H7NO2.Sb/c3*1-2-4-6-5-3-1;2*1-4(2)3(5)6;/h3*1-5H;2*1-2H3,(H,5,6);
InChIKeyXSPYLXPGVIRUIV-UHFFFAOYSA-N
XLogP2.65
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 bis(dimethylcarbamic acid);triphenylstibane?
The IUPAC name of bis(dimethylcarbamic acid);triphenylstibane (CID 10075653) is bis(dimethylcarbamic acid);triphenylstibane.
What is the SMILES notation for bis(dimethylcarbamic acid);triphenylstibane?
The canonical SMILES for bis(dimethylcarbamic acid);triphenylstibane is CN(C)C(=O)O.CN(C)C(=O)O.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(dimethylcarbamic acid);triphenylstibane?
The InChIKey is XSPYLXPGVIRUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.2C3H7NO2.Sb/c3*1-2-4-6-5-3-1;2*1-4(2)3(5)6;/h3*1-5H;2*1-2H3,(H,5,6);.
What are the key properties of bis(dimethylcarbamic acid);triphenylstibane?
bis(dimethylcarbamic acid);triphenylstibane has a molecular weight of 531.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylcarbamic acid);triphenylstibane is sourced from PubChem (CID 10075653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).