2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate

C32H28BF4N — CID 44888468

IUPAC2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
SMILESCc1cc(C)c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c(C)c1.F[B-](F)(F)F
InChIInChI=1S/C32H28N.BF4/c1-23-19-24(2)32(25(3)20-23)33-30(27-15-9-5-10-16-27)21-29(26-13-7-4-8-14-26)22-31(33)28-17-11-6-12-18-28;2-1(3,4)5/h4-22H,1-3H3;/q+1;-1
InChIKeyXEQWSINNDRJMPO-UHFFFAOYSA-N
MW513.39 g/mol
LogP9.19
Rot. Bonds4

About 2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate

2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate (PubChem CID 44888468) has the molecular formula C32H28BF4N and a molecular weight of 513.39 g/mol. Its IUPAC name is 2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
PubChem CID44888468
Molecular FormulaC32H28BF4N
Molecular Weight513.39 g/mol
Exact Mass513.23
IUPAC Name2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
SMILESCc1cc(C)c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c(C)c1.F[B-](F)(F)F
InChIInChI=1S/C32H28N.BF4/c1-23-19-24(2)32(25(3)20-23)33-30(27-15-9-5-10-16-27)21-29(26-13-7-4-8-14-26)22-31(33)28-17-11-6-12-18-28;2-1(3,4)5/h4-22H,1-3H3;/q+1;-1
InChIKeyXEQWSINNDRJMPO-UHFFFAOYSA-N
XLogP9.19
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.39
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
CID 169409962
2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 168892681
2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 177325132
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate
CID 15580043
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
4-[1-(4-methylphenyl)-4-[4-[1-(4-methylphenyl)-2-phenyl-6-(4-sulfophenyl)pyridin-1-ium-4-yl]phenyl]-6-phenylpyridin-1-ium-2-yl]benzenesulfonic acid
CID 3698598
carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium
CID 160651520
1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate
CID 13016817
2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate
CID 12627142
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate?
The IUPAC name of 2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate (CID 44888468) is 2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate.
What is the SMILES notation for 2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate?
The canonical SMILES for 2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate is Cc1cc(C)c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c(C)c1.F[B-](F)(F)F.
What is the InChIKey of 2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate?
The InChIKey is XEQWSINNDRJMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N.BF4/c1-23-19-24(2)32(25(3)20-23)33-30(27-15-9-5-10-16-27)21-29(26-13-7-4-8-14-26)22-31(33)28-17-11-6-12-18-28;2-1(3,4)5/h4-22H,1-3H3;/q+1;-1.
What are the key properties of 2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate?
2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate has a molecular weight of 513.39 g/mol, XLogP of 9.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate is sourced from PubChem (CID 44888468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).