2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium

C31H26NO+ — CID 10482035

IUPAC2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(-c3cccc[n+]3C)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C31H26NO/c1-32-20-10-9-15-30(32)31-28(24-11-5-3-6-12-24)21-26(23-16-18-27(33-2)19-17-23)22-29(31)25-13-7-4-8-14-25/h3-22H,1-2H3/q+1
InChIKeyUJSNGTVKHXXBLM-UHFFFAOYSA-N
MW428.56 g/mol
LogP7.19
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium

2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium (PubChem CID 10482035) has the molecular formula C31H26NO+ and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium
PubChem CID10482035
Molecular FormulaC31H26NO+
Molecular Weight428.56 g/mol
Exact Mass428.20
IUPAC Name2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(-c3cccc[n+]3C)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C31H26NO/c1-32-20-10-9-15-30(32)31-28(24-11-5-3-6-12-24)21-26(23-16-18-27(33-2)19-17-23)22-29(31)25-13-7-4-8-14-25/h3-22H,1-2H3/q+1
InChIKeyUJSNGTVKHXXBLM-UHFFFAOYSA-N
XLogP7.19
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-1-methylpyridin-1-ium iodide
CID 12957521
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
CID 2326756
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium
CID 170543584
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine
CID 87111772
8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium
CID 132507469
2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium
CID 91247479
1-methoxy-4-phenylbenzene cyanide
CID 159561637

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium?
The IUPAC name of 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium (CID 10482035) is 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium is COc1ccc(-c2cc(-c3ccccc3)c(-c3cccc[n+]3C)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium?
The InChIKey is UJSNGTVKHXXBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26NO/c1-32-20-10-9-15-30(32)31-28(24-11-5-3-6-12-24)21-26(23-16-18-27(33-2)19-17-23)22-29(31)25-13-7-4-8-14-25/h3-22H,1-2H3/q+1.
What are the key properties of 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium?
2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium has a molecular weight of 428.56 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium is sourced from PubChem (CID 10482035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).