sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide

C24H15BF5Na — CID 139835857

IUPACsodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide
SMILESFc1c(F)c(F)c([B-](c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1F.[Na+]
InChIInChI=1S/C24H15BF5.Na/c26-20-19(21(27)23(29)24(30)22(20)28)25(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;/q-1;+1
InChIKeyJSGRHZLCMRTEDR-UHFFFAOYSA-N
MW432.18 g/mol
LogP0.76
Rot. Bonds4

About sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide

sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide (PubChem CID 139835857) has the molecular formula C24H15BF5Na and a molecular weight of 432.18 g/mol. Its IUPAC name is sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide.

Molecular Properties

Compound Namesodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide
PubChem CID139835857
Molecular FormulaC24H15BF5Na
Molecular Weight432.18 g/mol
Exact Mass432.11
IUPAC Namesodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide
SMILESFc1c(F)c(F)c([B-](c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1F.[Na+]
InChIInChI=1S/C24H15BF5.Na/c26-20-19(21(27)23(29)24(30)22(20)28)25(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;/q-1;+1
InChIKeyJSGRHZLCMRTEDR-UHFFFAOYSA-N
XLogP0.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.18
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide
CID 11498397
triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide
CID 139766289
iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 22222054
CID 174934257
CID 174934257
silver;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;toluene
CID 22335858
tetraphenylboranuide tetrafluoroborate
CID 87564099
methyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 23352825
bis(dimethyl(phenyl)azanium);hydron;tris(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139997769
tris(2,3,4,5,6-pentafluorophenyl)-(4-phenylmethoxyphenyl)boranuide
CID 102345548
aluminum tris((4-hydroxyphenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139844882
calcium;tetraphenylboranuide;iodide
CID 23136649
sodium;chloro(diphenyl)-λ3-iodane;diphenyliodanium;bis((4-ethenylphenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 159834004

Frequently Asked Questions

What is the IUPAC name of sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide?
The IUPAC name of sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide (CID 139835857) is sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide.
What is the SMILES notation for sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide?
The canonical SMILES for sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide is Fc1c(F)c(F)c([B-](c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1F.[Na+].
What is the InChIKey of sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide?
The InChIKey is JSGRHZLCMRTEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BF5.Na/c26-20-19(21(27)23(29)24(30)22(20)28)25(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;/q-1;+1.
What are the key properties of sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide?
sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide has a molecular weight of 432.18 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide is sourced from PubChem (CID 139835857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).