(tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate

C31H25O4Sb — CID 154700940

IUPAC(tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate
SMILESO=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C7H6O4.4C6H5.Sb/c8-4-1-2-6(9)5(3-4)7(10)11;4*1-2-4-6-5-3-1;/h1-3,8-9H,(H,10,11);4*1-5H;/q;;;;;+1/p-1
InChIKeyLFHCWVXWKYOLMU-UHFFFAOYSA-M
MW583.30 g/mol
LogP3.78
Rot. Bonds6

About (tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate

(tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate (PubChem CID 154700940) has the molecular formula C31H25O4Sb and a molecular weight of 583.30 g/mol. Its IUPAC name is (tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate.

Molecular Properties

Compound Name(tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate
PubChem CID154700940
Molecular FormulaC31H25O4Sb
Molecular Weight583.30 g/mol
Exact Mass582.08
IUPAC Name(tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate
SMILESO=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C7H6O4.4C6H5.Sb/c8-4-1-2-6(9)5(3-4)7(10)11;4*1-2-4-6-5-3-1;/h1-3,8-9H,(H,10,11);4*1-5H;/q;;;;;+1/p-1
InChIKeyLFHCWVXWKYOLMU-UHFFFAOYSA-M
XLogP3.78
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.30
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate?
The IUPAC name of (tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate (CID 154700940) is (tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate.
What is the SMILES notation for (tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate?
The canonical SMILES for (tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate is O=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)ccc1O.
What is the InChIKey of (tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate?
The InChIKey is LFHCWVXWKYOLMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O4.4C6H5.Sb/c8-4-1-2-6(9)5(3-4)7(10)11;4*1-2-4-6-5-3-1;/h1-3,8-9H,(H,10,11);4*1-5H;/q;;;;;+1/p-1.
What are the key properties of (tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate?
(tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate has a molecular weight of 583.30 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (tetraphenyl-λ5-stibanyl) 2,5-dihydroxybenzoate is sourced from PubChem (CID 154700940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).