1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium

C25H30N+ — CID 177325143

IUPAC1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium
SMILESCCc1cccc(CC)c1-[n+]1c(CC)cc(-c2ccccc2)cc1CC
InChIInChI=1S/C25H30N/c1-5-19-15-12-16-20(6-2)25(19)26-23(7-3)17-22(18-24(26)8-4)21-13-10-9-11-14-21/h9-18H,5-8H2,1-4H3/q+1
InChIKeyVQXKBZVDYYKUBD-UHFFFAOYSA-N
MW344.52 g/mol
LogP5.88
Rot. Bonds6

About 1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium

1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium (PubChem CID 177325143) has the molecular formula C25H30N+ and a molecular weight of 344.52 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium
PubChem CID177325143
Molecular FormulaC25H30N+
Molecular Weight344.52 g/mol
Exact Mass344.24
IUPAC Name1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium
SMILESCCc1cccc(CC)c1-[n+]1c(CC)cc(-c2ccccc2)cc1CC
InChIInChI=1S/C25H30N/c1-5-19-15-12-16-20(6-2)25(19)26-23(7-3)17-22(18-24(26)8-4)21-13-10-9-11-14-21/h9-18H,5-8H2,1-4H3/q+1
InChIKeyVQXKBZVDYYKUBD-UHFFFAOYSA-N
XLogP5.88
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium
CID 177325131
2,6-diethyl-4-phenyl-1-[(E)-prop-1-enyl]pyridin-1-ium
CID 24721157
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
1-[(4-chlorophenyl)methyl]-2,6-diethyl-4-phenylpyridin-1-ium tetrafluoroborate
CID 2779794
1-ethyl-2,4-diphenylbenzene
CID 59359551
1,2-diethylbenzene;ethylbenzene;molybdenum
CID 174058694
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1,2-diethylbenzene;hydrobromide
CID 174973685
2-bromo-1-ethyl-3-phenylbenzene
CID 174683375
2,6-diethyl-4-phenylpyrylium
CID 15193558
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium?
The IUPAC name of 1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium (CID 177325143) is 1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium.
What is the SMILES notation for 1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium?
The canonical SMILES for 1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium is CCc1cccc(CC)c1-[n+]1c(CC)cc(-c2ccccc2)cc1CC.
What is the InChIKey of 1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium?
The InChIKey is VQXKBZVDYYKUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N/c1-5-19-15-12-16-20(6-2)25(19)26-23(7-3)17-22(18-24(26)8-4)21-13-10-9-11-14-21/h9-18H,5-8H2,1-4H3/q+1.
What are the key properties of 1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium?
1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium has a molecular weight of 344.52 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium is sourced from PubChem (CID 177325143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).