(tetraphenyl-λ5-stibanyl) benzoate

C31H25O2Sb — CID 16694340

IUPAC(tetraphenyl-λ5-stibanyl) benzoate
SMILESO=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C7H6O2.4C6H5.Sb/c8-7(9)6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;/h1-5H,(H,8,9);4*1-5H;/q;;;;;+1/p-1
InChIKeyQGKQTYBVRNFJIH-UHFFFAOYSA-M
MW551.30 g/mol
LogP4.37
Rot. Bonds6

About (tetraphenyl-λ5-stibanyl) benzoate

(tetraphenyl-λ5-stibanyl) benzoate (PubChem CID 16694340) has the molecular formula C31H25O2Sb and a molecular weight of 551.30 g/mol. Its IUPAC name is (tetraphenyl-λ5-stibanyl) benzoate.

Molecular Properties

Compound Name(tetraphenyl-λ5-stibanyl) benzoate
PubChem CID16694340
Molecular FormulaC31H25O2Sb
Molecular Weight551.30 g/mol
Exact Mass550.09
IUPAC Name(tetraphenyl-λ5-stibanyl) benzoate
SMILESO=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C7H6O2.4C6H5.Sb/c8-7(9)6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;/h1-5H,(H,8,9);4*1-5H;/q;;;;;+1/p-1
InChIKeyQGKQTYBVRNFJIH-UHFFFAOYSA-M
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.30
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoyl Peroxide
CID 7187
Pentaerythrityl Tetrabenzoate
CID 20167
Mercuric benzoate
CID 11407
Magnesium Benzoate
CID 62371
Cupric benzoate
CID 164650
Benzoic acid, 2-(diphenylphosphino)-
CID 87021
Calcium Benzoate
CID 62425
Phenylmercury benzoate
CID 16682929
4-(Diphenylphosphino)benzoic acid
CID 627824
Aluminum benzoate
CID 68387
iodonium, (2-carboxyphenyl)phenyl-, inner salt
CID 73883
2,5-Dimethyl-2,5-DI-(benzoylperoxy)hexane
CID 75796

Frequently Asked Questions

What is the IUPAC name of (tetraphenyl-λ5-stibanyl) benzoate?
The IUPAC name of (tetraphenyl-λ5-stibanyl) benzoate (CID 16694340) is (tetraphenyl-λ5-stibanyl) benzoate.
What is the SMILES notation for (tetraphenyl-λ5-stibanyl) benzoate?
The canonical SMILES for (tetraphenyl-λ5-stibanyl) benzoate is O=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (tetraphenyl-λ5-stibanyl) benzoate?
The InChIKey is QGKQTYBVRNFJIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.4C6H5.Sb/c8-7(9)6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;/h1-5H,(H,8,9);4*1-5H;/q;;;;;+1/p-1.
What are the key properties of (tetraphenyl-λ5-stibanyl) benzoate?
(tetraphenyl-λ5-stibanyl) benzoate has a molecular weight of 551.30 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (tetraphenyl-λ5-stibanyl) benzoate is sourced from PubChem (CID 16694340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).