(tetraphenyl-λ5-stibanyl) 4-fluorobenzoate

C31H24FO2Sb — CID 23234478

IUPAC(tetraphenyl-λ5-stibanyl) 4-fluorobenzoate
SMILESO=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C7H5FO2.4C6H5.Sb/c8-6-3-1-5(2-4-6)7(9)10;4*1-2-4-6-5-3-1;/h1-4H,(H,9,10);4*1-5H;/q;;;;;+1/p-1
InChIKeyYHUVBACLLOYQQQ-UHFFFAOYSA-M
MW569.29 g/mol
LogP4.51
Rot. Bonds6

About (tetraphenyl-λ5-stibanyl) 4-fluorobenzoate

(tetraphenyl-λ5-stibanyl) 4-fluorobenzoate (PubChem CID 23234478) has the molecular formula C31H24FO2Sb and a molecular weight of 569.29 g/mol. Its IUPAC name is (tetraphenyl-λ5-stibanyl) 4-fluorobenzoate.

Molecular Properties

Compound Name(tetraphenyl-λ5-stibanyl) 4-fluorobenzoate
PubChem CID23234478
Molecular FormulaC31H24FO2Sb
Molecular Weight569.29 g/mol
Exact Mass568.08
IUPAC Name(tetraphenyl-λ5-stibanyl) 4-fluorobenzoate
SMILESO=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C7H5FO2.4C6H5.Sb/c8-6-3-1-5(2-4-6)7(9)10;4*1-2-4-6-5-3-1;/h1-4H,(H,9,10);4*1-5H;/q;;;;;+1/p-1
InChIKeyYHUVBACLLOYQQQ-UHFFFAOYSA-M
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.29
LogP ≤ 54.51
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

Phenylmercury benzoate
CID 16682929
Aluminum benzoate
CID 68387
Stannane, benzoyloxytriphenyl-
CID 16684201
Triphenylmethyl benzoate
CID 621193
Benzoic acid, iron(3+) salt (3:1)
CID 161074
[Dibutyl-(2,3-difluorobenzoyl)oxy-stannyl] 2,3-difluorobenzoate
CID 16683576
Triphenylsilyl benzoate
CID 12568332
Stannane, bis(benzoyloxy)diphenyl-
CID 16683523
4,4'-(1,2-Diphenylethene-1,2-diyl)dibenzoic acid
CID 76468768
[Diethyl-(4-fluorobenzoyl)oxy-stannyl] 4-fluorobenzoate
CID 16683575
Bis(4-fluorobenzoyl) peroxide
CID 12413894
Dibutyltin dibenzoate
CID 16694597

Frequently Asked Questions

What is the IUPAC name of (tetraphenyl-λ5-stibanyl) 4-fluorobenzoate?
The IUPAC name of (tetraphenyl-λ5-stibanyl) 4-fluorobenzoate (CID 23234478) is (tetraphenyl-λ5-stibanyl) 4-fluorobenzoate.
What is the SMILES notation for (tetraphenyl-λ5-stibanyl) 4-fluorobenzoate?
The canonical SMILES for (tetraphenyl-λ5-stibanyl) 4-fluorobenzoate is O=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (tetraphenyl-λ5-stibanyl) 4-fluorobenzoate?
The InChIKey is YHUVBACLLOYQQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5FO2.4C6H5.Sb/c8-6-3-1-5(2-4-6)7(9)10;4*1-2-4-6-5-3-1;/h1-4H,(H,9,10);4*1-5H;/q;;;;;+1/p-1.
What are the key properties of (tetraphenyl-λ5-stibanyl) 4-fluorobenzoate?
(tetraphenyl-λ5-stibanyl) 4-fluorobenzoate has a molecular weight of 569.29 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (tetraphenyl-λ5-stibanyl) 4-fluorobenzoate is sourced from PubChem (CID 23234478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).