(tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate

C31H20F5O2Sb — CID 16716725

IUPAC(tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate
SMILESO=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7HF5O2.4C6H5.Sb/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;4*1-2-4-6-5-3-1;/h(H,13,14);4*1-5H;/q;;;;;+1/p-1
InChIKeyPVIRSVXXZARQDC-UHFFFAOYSA-M
MW641.25 g/mol
LogP5.07
Rot. Bonds6

About (tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate

(tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate (PubChem CID 16716725) has the molecular formula C31H20F5O2Sb and a molecular weight of 641.25 g/mol. Its IUPAC name is (tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate.

Molecular Properties

Compound Name(tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate
PubChem CID16716725
Molecular FormulaC31H20F5O2Sb
Molecular Weight641.25 g/mol
Exact Mass640.04
IUPAC Name(tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate
SMILESO=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7HF5O2.4C6H5.Sb/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;4*1-2-4-6-5-3-1;/h(H,13,14);4*1-5H;/q;;;;;+1/p-1
InChIKeyPVIRSVXXZARQDC-UHFFFAOYSA-M
XLogP5.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.25
LogP ≤ 55.07
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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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 (tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate?
The IUPAC name of (tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate (CID 16716725) is (tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate.
What is the SMILES notation for (tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate?
The canonical SMILES for (tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate is O=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate?
The InChIKey is PVIRSVXXZARQDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7HF5O2.4C6H5.Sb/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;4*1-2-4-6-5-3-1;/h(H,13,14);4*1-5H;/q;;;;;+1/p-1.
What are the key properties of (tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate?
(tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate has a molecular weight of 641.25 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (tetraphenyl-λ5-stibanyl) 2,3,4,5,6-pentafluorobenzoate is sourced from PubChem (CID 16716725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).