[tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate

C35H30F3O2Sb — CID 16716727

IUPAC[tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate
SMILESCc1ccc([Sb](OC(=O)c2cc(F)c(F)c(F)c2)(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C7H3F3O2.4C7H7.Sb/c8-4-1-3(7(11)12)2-5(9)6(4)10;4*1-7-5-3-2-4-6-7;/h1-2H,(H,11,12);4*3-6H,1H3;/q;;;;;+1/p-1
InChIKeyWPGGDSFWXLLQMN-UHFFFAOYSA-M
MW661.38 g/mol
LogP6.02
Rot. Bonds6

About [tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate

[tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate (PubChem CID 16716727) has the molecular formula C35H30F3O2Sb and a molecular weight of 661.38 g/mol. Its IUPAC name is [tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate.

Molecular Properties

Compound Name[tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate
PubChem CID16716727
Molecular FormulaC35H30F3O2Sb
Molecular Weight661.38 g/mol
Exact Mass660.12
IUPAC Name[tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate
SMILESCc1ccc([Sb](OC(=O)c2cc(F)c(F)c(F)c2)(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C7H3F3O2.4C7H7.Sb/c8-4-1-3(7(11)12)2-5(9)6(4)10;4*1-7-5-3-2-4-6-7;/h1-2H,(H,11,12);4*3-6H,1H3;/q;;;;;+1/p-1
InChIKeyWPGGDSFWXLLQMN-UHFFFAOYSA-M
XLogP6.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.38
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Aluminum benzoate
CID 68387
Stannane, benzoyloxytriphenyl-
CID 16684201
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
[Diethyl-(4-fluorobenzoyl)oxy-stannyl] 4-fluorobenzoate
CID 16683575
Bis(4-fluorobenzoyl) peroxide
CID 12413894
(Benzoyloxy)(diphenyl)bismuthine
CID 16683123
[Dibutyl-(3-fluorobenzoyl)oxy-stannyl] 3-fluorobenzoate
CID 16683187
[Dibutyl-(2,6-difluorobenzoyl)oxy-stannyl] 2,6-difluorobenzoate
CID 16683188
1,3-Bis((2,6-difluorobenzoyl)oxy)-1,1,3,3-tetraethyldistannoxane
CID 16683196

Frequently Asked Questions

What is the IUPAC name of [tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate?
The IUPAC name of [tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate (CID 16716727) is [tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate.
What is the SMILES notation for [tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate?
The canonical SMILES for [tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate is Cc1ccc([Sb](OC(=O)c2cc(F)c(F)c(F)c2)(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of [tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate?
The InChIKey is WPGGDSFWXLLQMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H3F3O2.4C7H7.Sb/c8-4-1-3(7(11)12)2-5(9)6(4)10;4*1-7-5-3-2-4-6-7;/h1-2H,(H,11,12);4*3-6H,1H3;/q;;;;;+1/p-1.
What are the key properties of [tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate?
[tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate has a molecular weight of 661.38 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tetrakis(4-methylphenyl)-lambda5-stibanyl] 3,4,5-trifluorobenzoate is sourced from PubChem (CID 16716727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).