[tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate

C35H28F5O2Sb — CID 16711050

IUPAC[tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate
SMILESCc1ccc([Sb](OC(=O)c2c(F)c(F)c(F)c(F)c2F)(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C7HF5O2.4C7H7.Sb/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;4*1-7-5-3-2-4-6-7;/h(H,13,14);4*3-6H,1H3;/q;;;;;+1/p-1
InChIKeyJOAMHFKFYRTABO-UHFFFAOYSA-M
MW697.36 g/mol
LogP6.30
Rot. Bonds6

About [tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate

[tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate (PubChem CID 16711050) has the molecular formula C35H28F5O2Sb and a molecular weight of 697.36 g/mol. Its IUPAC name is [tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate.

Molecular Properties

Compound Name[tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate
PubChem CID16711050
Molecular FormulaC35H28F5O2Sb
Molecular Weight697.36 g/mol
Exact Mass696.10
IUPAC Name[tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate
SMILESCc1ccc([Sb](OC(=O)c2c(F)c(F)c(F)c(F)c2F)(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C7HF5O2.4C7H7.Sb/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;4*1-7-5-3-2-4-6-7;/h(H,13,14);4*3-6H,1H3;/q;;;;;+1/p-1
InChIKeyJOAMHFKFYRTABO-UHFFFAOYSA-M
XLogP6.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.36
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate?
The IUPAC name of [tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate (CID 16711050) is [tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate.
What is the SMILES notation for [tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate?
The canonical SMILES for [tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate is Cc1ccc([Sb](OC(=O)c2c(F)c(F)c(F)c(F)c2F)(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of [tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate?
The InChIKey is JOAMHFKFYRTABO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7HF5O2.4C7H7.Sb/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;4*1-7-5-3-2-4-6-7;/h(H,13,14);4*3-6H,1H3;/q;;;;;+1/p-1.
What are the key properties of [tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate?
[tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate has a molecular weight of 697.36 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate is sourced from PubChem (CID 16711050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).