2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium

C24H28N+ — CID 177325132

IUPAC2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
SMILESCc1cc(C)c(-[n+]2c(C)c(C)c(-c3ccccc3)c(C)c2C)c(C)c1
InChIInChI=1S/C24H28N/c1-15-13-16(2)24(17(3)14-15)25-20(6)18(4)23(19(5)21(25)7)22-11-9-8-10-12-22/h8-14H,1-7H3/q+1
InChIKeyPLYCVOOJVFDHOD-UHFFFAOYSA-N
MW330.50 g/mol
LogP5.79
Rot. Bonds2

About 2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium

2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium (PubChem CID 177325132) has the molecular formula C24H28N+ and a molecular weight of 330.50 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
PubChem CID177325132
Molecular FormulaC24H28N+
Molecular Weight330.50 g/mol
Exact Mass330.22
IUPAC Name2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
SMILESCc1cc(C)c(-[n+]2c(C)c(C)c(-c3ccccc3)c(C)c2C)c(C)c1
InChIInChI=1S/C24H28N/c1-15-13-16(2)24(17(3)14-15)25-20(6)18(4)23(19(5)21(25)7)22-11-9-8-10-12-22/h8-14H,1-7H3/q+1
InChIKeyPLYCVOOJVFDHOD-UHFFFAOYSA-N
XLogP5.79
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 55.79
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

2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 168892681
2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
CID 169409962
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
CID 44888468
1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene
CID 141085146
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium
CID 90343205
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium?
The IUPAC name of 2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium (CID 177325132) is 2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium.
What is the SMILES notation for 2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium?
The canonical SMILES for 2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium is Cc1cc(C)c(-[n+]2c(C)c(C)c(-c3ccccc3)c(C)c2C)c(C)c1.
What is the InChIKey of 2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium?
The InChIKey is PLYCVOOJVFDHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N/c1-15-13-16(2)24(17(3)14-15)25-20(6)18(4)23(19(5)21(25)7)22-11-9-8-10-12-22/h8-14H,1-7H3/q+1.
What are the key properties of 2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium?
2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium has a molecular weight of 330.50 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium is sourced from PubChem (CID 177325132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).