tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide

C28H17BF15N — CID 11498397

IUPACtetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide
SMILESC[N+](C)(C)C.Fc1c(F)c(F)c([B-](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24H5BF15.C4H12N/c26-10-7(11(27)17(33)22(38)16(10)32)25(6-4-2-1-3-5-6,8-12(28)18(34)23(39)19(35)13(8)29)9-14(30)20(36)24(40)21(37)15(9)31;1-5(2,3)4/h1-5H;1-4H3/q-1;+1
InChIKeyFKIPVTJEIJGBEX-UHFFFAOYSA-N
MW663.23 g/mol
LogP5.47
Rot. Bonds4

About tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide

tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide (PubChem CID 11498397) has the molecular formula C28H17BF15N and a molecular weight of 663.23 g/mol. Its IUPAC name is tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide.

Molecular Properties

Compound Nametetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide
PubChem CID11498397
Molecular FormulaC28H17BF15N
Molecular Weight663.23 g/mol
Exact Mass663.12
IUPAC Nametetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide
SMILESC[N+](C)(C)C.Fc1c(F)c(F)c([B-](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24H5BF15.C4H12N/c26-10-7(11(27)17(33)22(38)16(10)32)25(6-4-2-1-3-5-6,8-12(28)18(34)23(39)19(35)13(8)29)9-14(30)20(36)24(40)21(37)15(9)31;1-5(2,3)4/h1-5H;1-4H3/q-1;+1
InChIKeyFKIPVTJEIJGBEX-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.23
LogP ≤ 55.47
H-Bond Donors ≤ 50
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide
CID 139835857
silver;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;toluene
CID 22335858
triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide
CID 139766289
iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 22222054
bis(dimethyl(phenyl)azanium);hydron;tris(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139997769
methyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 23352825
tris(2,3,4,5,6-pentafluorophenyl)-(4-phenylmethoxyphenyl)boranuide
CID 102345548
benzyl(dimethyl)azanium;(4-hydroxyphenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139950647
[4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene
CID 22239783
aluminum tris((4-hydroxyphenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139844882
tetraphenylboranuide;trimethyl(phenyl)azanium
CID 12504234
methanamine;tetraphenylboranuide
CID 175835863

Frequently Asked Questions

What is the IUPAC name of tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide?
The IUPAC name of tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide (CID 11498397) is tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide.
What is the SMILES notation for tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide?
The canonical SMILES for tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide is C[N+](C)(C)C.Fc1c(F)c(F)c([B-](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide?
The InChIKey is FKIPVTJEIJGBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H5BF15.C4H12N/c26-10-7(11(27)17(33)22(38)16(10)32)25(6-4-2-1-3-5-6,8-12(28)18(34)23(39)19(35)13(8)29)9-14(30)20(36)24(40)21(37)15(9)31;1-5(2,3)4/h1-5H;1-4H3/q-1;+1.
What are the key properties of tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide?
tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide has a molecular weight of 663.23 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide is sourced from PubChem (CID 11498397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).