dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide

C32H28BF4N — CID 18314892

IUPACdimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide
SMILESC[NH+](C)c1ccccc1.Fc1cccc([B-](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1
InChIInChI=1S/C24H16BF4.C8H11N/c26-21-9-1-5-17(13-21)25(18-6-2-10-22(27)14-18,19-7-3-11-23(28)15-19)20-8-4-12-24(29)16-20;1-9(2)8-6-4-3-5-7-8/h1-16H;3-7H,1-2H3/q-1;/p+1
InChIKeyXJFXZGIZZIZQOA-UHFFFAOYSA-O
MW513.39 g/mol
LogP4.08
Rot. Bonds5

About dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide

dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide (PubChem CID 18314892) has the molecular formula C32H28BF4N and a molecular weight of 513.39 g/mol. Its IUPAC name is dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide.

Molecular Properties

Compound Namedimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide
PubChem CID18314892
Molecular FormulaC32H28BF4N
Molecular Weight513.39 g/mol
Exact Mass513.23
IUPAC Namedimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide
SMILESC[NH+](C)c1ccccc1.Fc1cccc([B-](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1
InChIInChI=1S/C24H16BF4.C8H11N/c26-21-9-1-5-17(13-21)25(18-6-2-10-22(27)14-18,19-7-3-11-23(28)15-19)20-8-4-12-24(29)16-20;1-9(2)8-6-4-3-5-7-8/h1-16H;3-7H,1-2H3/q-1;/p+1
InChIKeyXJFXZGIZZIZQOA-UHFFFAOYSA-O
XLogP4.08
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide?
The IUPAC name of dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide (CID 18314892) is dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide.
What is the SMILES notation for dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide?
The canonical SMILES for dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide is C[NH+](C)c1ccccc1.Fc1cccc([B-](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1.
What is the InChIKey of dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide?
The InChIKey is XJFXZGIZZIZQOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H16BF4.C8H11N/c26-21-9-1-5-17(13-21)25(18-6-2-10-22(27)14-18,19-7-3-11-23(28)15-19)20-8-4-12-24(29)16-20;1-9(2)8-6-4-3-5-7-8/h1-16H;3-7H,1-2H3/q-1;/p+1.
What are the key properties of dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide?
dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide has a molecular weight of 513.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)azanium;tetrakis(3-fluorophenyl)boranuide is sourced from PubChem (CID 18314892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).