potassium tetrakis(4-chlorophenyl)boranuide

C24H16BCl4K — CID 23679691

IUPACpotassium tetrakis(4-chlorophenyl)boranuide
SMILESClc1ccc([B-](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.[K+]
InChIInChI=1S/C24H16BCl4.K/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1
InChIKeySAGICZRAKJSWLD-UHFFFAOYSA-N
MW496.11 g/mol
LogP2.68
Rot. Bonds4

About potassium tetrakis(4-chlorophenyl)boranuide

potassium tetrakis(4-chlorophenyl)boranuide (PubChem CID 23679691) has the molecular formula C24H16BCl4K and a molecular weight of 496.11 g/mol. Its IUPAC name is potassium tetrakis(4-chlorophenyl)boranuide.

Molecular Properties

Compound Namepotassium tetrakis(4-chlorophenyl)boranuide
PubChem CID23679691
Molecular FormulaC24H16BCl4K
Molecular Weight496.11 g/mol
Exact Mass493.97
IUPAC Namepotassium tetrakis(4-chlorophenyl)boranuide
SMILESClc1ccc([B-](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.[K+]
InChIInChI=1S/C24H16BCl4.K/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1
InChIKeySAGICZRAKJSWLD-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.11
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium tetrakis(4-chlorophenyl)boranuide?
The IUPAC name of potassium tetrakis(4-chlorophenyl)boranuide (CID 23679691) is potassium tetrakis(4-chlorophenyl)boranuide.
What is the SMILES notation for potassium tetrakis(4-chlorophenyl)boranuide?
The canonical SMILES for potassium tetrakis(4-chlorophenyl)boranuide is Clc1ccc([B-](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.[K+].
What is the InChIKey of potassium tetrakis(4-chlorophenyl)boranuide?
The InChIKey is SAGICZRAKJSWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BCl4.K/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1.
What are the key properties of potassium tetrakis(4-chlorophenyl)boranuide?
potassium tetrakis(4-chlorophenyl)boranuide has a molecular weight of 496.11 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium tetrakis(4-chlorophenyl)boranuide is sourced from PubChem (CID 23679691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).