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

C33H17BF19NOSi — CID 173197853

IUPACdimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide
SMILESCO[SiH2]c1c(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(F)c(F)c2F)c(F)c1F.C[NH+](C)c1ccccc1
InChIInChI=1S/C25H5BF19OSi.C8H11N/c1-46-47-25-23(44)12(33)5(13(34)24(25)45)26(2-6(27)14(35)20(41)15(36)7(2)28,3-8(29)16(37)21(42)17(38)9(3)30)4-10(31)18(39)22(43)19(40)11(4)32;1-9(2)8-6-4-3-5-7-8/h47H2,1H3;3-7H,1-2H3/q-1;/p+1
InChIKeyLLTDQKLNTDAPTN-UHFFFAOYSA-O
MW843.36 g/mol
LogP4.53
Rot. Bonds7

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

dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide (PubChem CID 173197853) has the molecular formula C33H17BF19NOSi and a molecular weight of 843.36 g/mol. Its IUPAC name is dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide.

Molecular Properties

Compound Namedimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide
PubChem CID173197853
Molecular FormulaC33H17BF19NOSi
Molecular Weight843.36 g/mol
Exact Mass843.09
IUPAC Namedimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide
SMILESCO[SiH2]c1c(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(F)c(F)c2F)c(F)c1F.C[NH+](C)c1ccccc1
InChIInChI=1S/C25H5BF19OSi.C8H11N/c1-46-47-25-23(44)12(33)5(13(34)24(25)45)26(2-6(27)14(35)20(41)15(36)7(2)28,3-8(29)16(37)21(42)17(38)9(3)30)4-10(31)18(39)22(43)19(40)11(4)32;1-9(2)8-6-4-3-5-7-8/h47H2,1H3;3-7H,1-2H3/q-1;/p+1
InChIKeyLLTDQKLNTDAPTN-UHFFFAOYSA-O
XLogP4.53
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500843.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

bis(dimethyl(phenyl)azanium);hydron;tris(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139997769
dimethyl(phenyl)azanium;tetrakis(1,3,4,5,6-pentafluoronaphthalen-2-yl)boranuide
CID 164564276
bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium
CID 22370886
dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(4-prop-2-enylphenyl)boranuide
CID 139690846
silver;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;toluene
CID 22335858
iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 22222054
heptyl-octadecyl-phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 175728546
1-methoxypyridin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139732586
methyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 23352825
sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide
CID 139835857
tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide
CID 11498397
(3-methoxyphenyl)-diphenylsulfanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 23133188

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-methoxysilylphenyl)boranuide?
The IUPAC name of dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide (CID 173197853) is dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide.
What is the SMILES notation for dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide?
The canonical SMILES for dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide is CO[SiH2]c1c(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(F)c(F)c2F)c(F)c1F.C[NH+](C)c1ccccc1.
What is the InChIKey of dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide?
The InChIKey is LLTDQKLNTDAPTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H5BF19OSi.C8H11N/c1-46-47-25-23(44)12(33)5(13(34)24(25)45)26(2-6(27)14(35)20(41)15(36)7(2)28,3-8(29)16(37)21(42)17(38)9(3)30)4-10(31)18(39)22(43)19(40)11(4)32;1-9(2)8-6-4-3-5-7-8/h47H2,1H3;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-methoxysilylphenyl)boranuide?
dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide has a molecular weight of 843.36 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 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-methoxysilylphenyl)boranuide is sourced from PubChem (CID 173197853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).