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

C22H24BF4N — CID 169409962

IUPAC2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
SMILESCc1cc(C)c(-[n+]2c(C)cc(-c3ccccc3)cc2C)c(C)c1.F[B-](F)(F)F
InChIInChI=1S/C22H24N.BF4/c1-15-11-16(2)22(17(3)12-15)23-18(4)13-21(14-19(23)5)20-9-7-6-8-10-20;2-1(3,4)5/h6-14H,1-5H3;/q+1;-1
InChIKeyFULJAIWEENHNFR-UHFFFAOYSA-N
MW389.25 g/mol
LogP6.47
Rot. Bonds2

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

2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate (PubChem CID 169409962) has the molecular formula C22H24BF4N and a molecular weight of 389.25 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
PubChem CID169409962
Molecular FormulaC22H24BF4N
Molecular Weight389.25 g/mol
Exact Mass389.19
IUPAC Name2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
SMILESCc1cc(C)c(-[n+]2c(C)cc(-c3ccccc3)cc2C)c(C)c1.F[B-](F)(F)F
InChIInChI=1S/C22H24N.BF4/c1-15-11-16(2)22(17(3)12-15)23-18(4)13-21(14-19(23)5)20-9-7-6-8-10-20;2-1(3,4)5/h6-14H,1-5H3;/q+1;-1
InChIKeyFULJAIWEENHNFR-UHFFFAOYSA-N
XLogP6.47
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.25
LogP ≤ 56.47
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
CID 168892681
2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
CID 44888468
1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium
CID 168892702
2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 177325132
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
CID 74766000
1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium
CID 168892691
4-phenyl-2,6-bis(2,4,6-trimethylphenyl)phenol
CID 140656741
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate?
The IUPAC name of 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate (CID 169409962) is 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate.
What is the SMILES notation for 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate?
The canonical SMILES for 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate is Cc1cc(C)c(-[n+]2c(C)cc(-c3ccccc3)cc2C)c(C)c1.F[B-](F)(F)F.
What is the InChIKey of 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate?
The InChIKey is FULJAIWEENHNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N.BF4/c1-15-11-16(2)22(17(3)12-15)23-18(4)13-21(14-19(23)5)20-9-7-6-8-10-20;2-1(3,4)5/h6-14H,1-5H3;/q+1;-1.
What are the key properties of 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate?
2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate has a molecular weight of 389.25 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate is sourced from PubChem (CID 169409962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).