dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide

C32H12BCl3F19NSi — CID 10855010

IUPACdimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide
SMILESC[NH+](C)c1ccccc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c([Si](Cl)(Cl)Cl)c(F)c2F)c(F)c1F
InChIInChI=1S/C24BCl3F19Si.C8H11N/c26-48(27,28)24-22(46)11(35)4(12(36)23(24)47)25(1-5(29)13(37)19(43)14(38)6(1)30,2-7(31)15(39)20(44)16(40)8(2)32)3-9(33)17(41)21(45)18(42)10(3)34;1-9(2)8-6-4-3-5-7-8/h;3-7H,1-2H3/q-1;/p+1
InChIKeyKNSQPXKDESVHON-UHFFFAOYSA-O
MW916.67 g/mol
LogP7.03
Rot. Bonds6

About dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide

dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide (PubChem CID 10855010) has the molecular formula C32H12BCl3F19NSi and a molecular weight of 916.67 g/mol. Its IUPAC name is dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide.

Molecular Properties

Compound Namedimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide
PubChem CID10855010
Molecular FormulaC32H12BCl3F19NSi
Molecular Weight916.67 g/mol
Exact Mass914.96
IUPAC Namedimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide
SMILESC[NH+](C)c1ccccc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c([Si](Cl)(Cl)Cl)c(F)c2F)c(F)c1F
InChIInChI=1S/C24BCl3F19Si.C8H11N/c26-48(27,28)24-22(46)11(35)4(12(36)23(24)47)25(1-5(29)13(37)19(43)14(38)6(1)30,2-7(31)15(39)20(44)16(40)8(2)32)3-9(33)17(41)21(45)18(42)10(3)34;1-9(2)8-6-4-3-5-7-8/h;3-7H,1-2H3/q-1;/p+1
InChIKeyKNSQPXKDESVHON-UHFFFAOYSA-O
XLogP7.03
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.67
LogP ≤ 57.03
H-Bond Donors ≤ 51
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)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;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide?
The IUPAC name of dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide (CID 10855010) is dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide.
What is the SMILES notation for dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide?
The canonical SMILES for dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide is C[NH+](C)c1ccccc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c([Si](Cl)(Cl)Cl)c(F)c2F)c(F)c1F.
What is the InChIKey of dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide?
The InChIKey is KNSQPXKDESVHON-UHFFFAOYSA-O. The full InChI is InChI=1S/C24BCl3F19Si.C8H11N/c26-48(27,28)24-22(46)11(35)4(12(36)23(24)47)25(1-5(29)13(37)19(43)14(38)6(1)30,2-7(31)15(39)20(44)16(40)8(2)32)3-9(33)17(41)21(45)18(42)10(3)34;1-9(2)8-6-4-3-5-7-8/h;3-7H,1-2H3/q-1;/p+1.
What are the key properties of dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide?
dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide has a molecular weight of 916.67 g/mol, XLogP of 7.03, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trichlorosilylphenyl)boranuide is sourced from PubChem (CID 10855010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).