2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium

C29H23N3O — CID 177405735

IUPAC2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium
SMILESCc1cc(-c2ccccc2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(C)[n+]3[O-])n2)n1
InChIInChI=1S/C29H23N3O/c1-20-16-24(22-10-5-3-6-11-22)18-28(30-20)26-14-9-15-27(31-26)29-19-25(17-21(2)32(29)33)23-12-7-4-8-13-23/h3-19H,1-2H3
InChIKeyRWGUWZRNCOPYDH-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.39
Rot. Bonds4

About 2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium

2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium (PubChem CID 177405735) has the molecular formula C29H23N3O and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium.

Molecular Properties

Compound Name2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium
PubChem CID177405735
Molecular FormulaC29H23N3O
Molecular Weight429.52 g/mol
Exact Mass429.18
IUPAC Name2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium
SMILESCc1cc(-c2ccccc2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(C)[n+]3[O-])n2)n1
InChIInChI=1S/C29H23N3O/c1-20-16-24(22-10-5-3-6-11-22)18-28(30-20)26-14-9-15-27(31-26)29-19-25(17-21(2)32(29)33)23-12-7-4-8-13-23/h3-19H,1-2H3
InChIKeyRWGUWZRNCOPYDH-UHFFFAOYSA-N
XLogP6.39
TPSA52.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-4,6-diphenylpyridine
CID 618669
2-[3-[4-[3,5-bis[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-methyl-4-pyridinyl]phenyl]-6-methyl-2-pyridinyl]phenyl]-4,6-diphenylpyridine;4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-2-[3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-phenylpyridine;2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4-[3-[2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 160789301
4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine
CID 177498154
2-methyl-6-(6-phenyl-2-pyridinyl)pyridine
CID 14698682
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292621
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611
[4-[6-[6-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-triethylsilane
CID 176645706
2-(4,6-diphenyl-2-pyridinyl)-6-[3-(4-methylphenyl)phenyl]-4-phenylpyridine
CID 143267281
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
[3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide
CID 159098890
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium?
The IUPAC name of 2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium (CID 177405735) is 2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium.
What is the SMILES notation for 2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium?
The canonical SMILES for 2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium is Cc1cc(-c2ccccc2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(C)[n+]3[O-])n2)n1.
What is the InChIKey of 2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium?
The InChIKey is RWGUWZRNCOPYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O/c1-20-16-24(22-10-5-3-6-11-22)18-28(30-20)26-14-9-15-27(31-26)29-19-25(17-21(2)32(29)33)23-12-7-4-8-13-23/h3-19H,1-2H3.
What are the key properties of 2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium?
2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium has a molecular weight of 429.52 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium is sourced from PubChem (CID 177405735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).