3,5-dimethyl-2,4,6-triphenylpyridin-1-ium

C25H22N+ — CID 100929279

IUPAC3,5-dimethyl-2,4,6-triphenylpyridin-1-ium
SMILESCc1c(-c2ccccc2)[nH+]c(-c2ccccc2)c(C)c1-c1ccccc1
InChIInChI=1S/C25H21N/c1-18-23(20-12-6-3-7-13-20)19(2)25(22-16-10-5-11-17-22)26-24(18)21-14-8-4-9-15-21/h3-17H,1-2H3/p+1
InChIKeyKISDFRAQJWGNCO-UHFFFAOYSA-O
MW336.46 g/mol
LogP6.12
Rot. Bonds3

About 3,5-dimethyl-2,4,6-triphenylpyridin-1-ium

3,5-dimethyl-2,4,6-triphenylpyridin-1-ium (PubChem CID 100929279) has the molecular formula C25H22N+ and a molecular weight of 336.46 g/mol. Its IUPAC name is 3,5-dimethyl-2,4,6-triphenylpyridin-1-ium.

Molecular Properties

Compound Name3,5-dimethyl-2,4,6-triphenylpyridin-1-ium
PubChem CID100929279
Molecular FormulaC25H22N+
Molecular Weight336.46 g/mol
Exact Mass336.17
IUPAC Name3,5-dimethyl-2,4,6-triphenylpyridin-1-ium
SMILESCc1c(-c2ccccc2)[nH+]c(-c2ccccc2)c(C)c1-c1ccccc1
InChIInChI=1S/C25H21N/c1-18-23(20-12-6-3-7-13-20)19(2)25(22-16-10-5-11-17-22)26-24(18)21-14-8-4-9-15-21/h3-17H,1-2H3/p+1
InChIKeyKISDFRAQJWGNCO-UHFFFAOYSA-O
XLogP6.12
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 91414507
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2,4-dimethyl-1,3,5-triphenylbenzene
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1,2,5-trimethyl-3,4-diphenylbenzene
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1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
1,2,3,4,5,6,8-heptamethyl-7,9,10-triphenylanthracene
CID 59002262
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824
1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146
N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
CID 167515773

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,4,6-triphenylpyridin-1-ium?
The IUPAC name of 3,5-dimethyl-2,4,6-triphenylpyridin-1-ium (CID 100929279) is 3,5-dimethyl-2,4,6-triphenylpyridin-1-ium.
What is the SMILES notation for 3,5-dimethyl-2,4,6-triphenylpyridin-1-ium?
The canonical SMILES for 3,5-dimethyl-2,4,6-triphenylpyridin-1-ium is Cc1c(-c2ccccc2)[nH+]c(-c2ccccc2)c(C)c1-c1ccccc1.
What is the InChIKey of 3,5-dimethyl-2,4,6-triphenylpyridin-1-ium?
The InChIKey is KISDFRAQJWGNCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H21N/c1-18-23(20-12-6-3-7-13-20)19(2)25(22-16-10-5-11-17-22)26-24(18)21-14-8-4-9-15-21/h3-17H,1-2H3/p+1.
What are the key properties of 3,5-dimethyl-2,4,6-triphenylpyridin-1-ium?
3,5-dimethyl-2,4,6-triphenylpyridin-1-ium has a molecular weight of 336.46 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,4,6-triphenylpyridin-1-ium is sourced from PubChem (CID 100929279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).