tetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane

C34H28F5OSb — CID 133064666

IUPACtetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane
SMILESCc1ccc([Sb](Oc2c(F)c(F)c(F)c(F)c2F)(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/4C7H7.C6HF5O.Sb/c4*1-7-5-3-2-4-6-7;7-1-2(8)4(10)6(12)5(11)3(1)9;/h4*3-6H,1H3;12H;/q;;;;;+1/p-1
InChIKeyJSFCXBIZBDCMNP-UHFFFAOYSA-M
MW669.35 g/mol
LogP6.52
Rot. Bonds6

About tetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane

tetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane (PubChem CID 133064666) has the molecular formula C34H28F5OSb and a molecular weight of 669.35 g/mol. Its IUPAC name is tetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane.

Molecular Properties

Compound Nametetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane
PubChem CID133064666
Molecular FormulaC34H28F5OSb
Molecular Weight669.35 g/mol
Exact Mass668.11
IUPAC Nametetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane
SMILESCc1ccc([Sb](Oc2c(F)c(F)c(F)c(F)c2F)(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/4C7H7.C6HF5O.Sb/c4*1-7-5-3-2-4-6-7;7-1-2(8)4(10)6(12)5(11)3(1)9;/h4*3-6H,1H3;12H;/q;;;;;+1/p-1
InChIKeyJSFCXBIZBDCMNP-UHFFFAOYSA-M
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.35
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane?
The IUPAC name of tetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane (CID 133064666) is tetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane.
What is the SMILES notation for tetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane?
The canonical SMILES for tetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane is Cc1ccc([Sb](Oc2c(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)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane?
The InChIKey is JSFCXBIZBDCMNP-UHFFFAOYSA-M. The full InChI is InChI=1S/4C7H7.C6HF5O.Sb/c4*1-7-5-3-2-4-6-7;7-1-2(8)4(10)6(12)5(11)3(1)9;/h4*3-6H,1H3;12H;/q;;;;;+1/p-1.
What are the key properties of tetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane?
tetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane has a molecular weight of 669.35 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)-λ5-stibane is sourced from PubChem (CID 133064666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).