phenylazanium;tetrakis(3-fluorophenyl)boranuide

C30H24BF4N — CID 139716044

IUPACphenylazanium;tetrakis(3-fluorophenyl)boranuide
SMILESFc1cccc([B-](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1.[NH3+]c1ccccc1
InChIInChI=1S/C24H16BF4.C6H7N/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;7-6-4-2-1-3-5-6/h1-16H;1-5H,7H2/q-1;/p+1
InChIKeyKSGDYPCPOQRPJN-UHFFFAOYSA-O
MW485.33 g/mol
LogP4.18
Rot. Bonds4

About phenylazanium;tetrakis(3-fluorophenyl)boranuide

phenylazanium;tetrakis(3-fluorophenyl)boranuide (PubChem CID 139716044) has the molecular formula C30H24BF4N and a molecular weight of 485.33 g/mol. Its IUPAC name is phenylazanium;tetrakis(3-fluorophenyl)boranuide.

Molecular Properties

Compound Namephenylazanium;tetrakis(3-fluorophenyl)boranuide
PubChem CID139716044
Molecular FormulaC30H24BF4N
Molecular Weight485.33 g/mol
Exact Mass485.19
IUPAC Namephenylazanium;tetrakis(3-fluorophenyl)boranuide
SMILESFc1cccc([B-](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1.[NH3+]c1ccccc1
InChIInChI=1S/C24H16BF4.C6H7N/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;7-6-4-2-1-3-5-6/h1-16H;1-5H,7H2/q-1;/p+1
InChIKeyKSGDYPCPOQRPJN-UHFFFAOYSA-O
XLogP4.18
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze phenylazanium;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

Related Compounds

N,N-dimethylanilinium tetrakis(pentafluorophenyl)borate
CID 10996402
N-dianilinoboranylaniline
CID 12126878
N-bis(2,4-difluoroanilino)phosphinothioyl-2,4-difluoroaniline
CID 341835
4-(Triphenylstannyl)aniline
CID 3455691
N,N-bis(diphenylphosphanyl)-2,3,4,5,6-pentafluoroaniline
CID 12061643
Diphenylphosphanyl-(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-lambda5-phosphane
CID 12061648
N,N-bis(diphenylphosphanyl)-4-fluoroaniline
CID 15809434
N-[bis(2-fluoroanilino)-tris(2-fluoroanilino)silyloxysilyl]-2-fluoroaniline
CID 85673653
2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-N,N-diphenylaniline
CID 85875878
2-N,2-N',4-N,4-N',6-N,6-N'-hexakis(2-fluorophenyl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine
CID 101226487
1,1,1,1-Tetrakis(o-fluorophenylamino)silane
CID 101697070
N-[bis[2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl]boranyl]-N-phenylaniline
CID 102336241

Frequently Asked Questions

What is the IUPAC name of phenylazanium;tetrakis(3-fluorophenyl)boranuide?
The IUPAC name of phenylazanium;tetrakis(3-fluorophenyl)boranuide (CID 139716044) is phenylazanium;tetrakis(3-fluorophenyl)boranuide.
What is the SMILES notation for phenylazanium;tetrakis(3-fluorophenyl)boranuide?
The canonical SMILES for phenylazanium;tetrakis(3-fluorophenyl)boranuide is Fc1cccc([B-](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1.[NH3+]c1ccccc1.
What is the InChIKey of phenylazanium;tetrakis(3-fluorophenyl)boranuide?
The InChIKey is KSGDYPCPOQRPJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H16BF4.C6H7N/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;7-6-4-2-1-3-5-6/h1-16H;1-5H,7H2/q-1;/p+1.
What are the key properties of phenylazanium;tetrakis(3-fluorophenyl)boranuide?
phenylazanium;tetrakis(3-fluorophenyl)boranuide has a molecular weight of 485.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenylazanium;tetrakis(3-fluorophenyl)boranuide is sourced from PubChem (CID 139716044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).