2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium

C29H26N3O+ — CID 164825451

IUPAC2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium
SMILESCc1cc(C)c(-n2c(-c3cccc4c3oc3ccccc34)nc3cc(C)c[n+](C)c32)c(C)c1
InChIInChI=1S/C29H26N3O/c1-17-13-19(3)26(20(4)14-17)32-28(30-24-15-18(2)16-31(5)29(24)32)23-11-8-10-22-21-9-6-7-12-25(21)33-27(22)23/h6-16H,1-5H3/q+1
InChIKeyPZBFIOAUZUZRTB-UHFFFAOYSA-N
MW432.55 g/mol
LogP6.65
Rot. Bonds2

About 2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium

2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium (PubChem CID 164825451) has the molecular formula C29H26N3O+ and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium
PubChem CID164825451
Molecular FormulaC29H26N3O+
Molecular Weight432.55 g/mol
Exact Mass432.21
IUPAC Name2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium
SMILESCc1cc(C)c(-n2c(-c3cccc4c3oc3ccccc34)nc3cc(C)c[n+](C)c32)c(C)c1
InChIInChI=1S/C29H26N3O/c1-17-13-19(3)26(20(4)14-17)32-28(30-24-15-18(2)16-31(5)29(24)32)23-11-8-10-22-21-9-6-7-12-25(21)33-27(22)23/h6-16H,1-5H3/q+1
InChIKeyPZBFIOAUZUZRTB-UHFFFAOYSA-N
XLogP6.65
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium with MolForge

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Related Compounds

8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669778
2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole
CID 156657519
2-dibenzofuran-4-yl-1-(3-methylnaphthalen-2-yl)benzimidazole
CID 167339079
3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 176644255
7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole
CID 159306750
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
2-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624347
2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 156658408
2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium
CID 176644026
[4-(2-dibenzofuran-4-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-trimethylgermane
CID 170931400
2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-diphenyl-4-(trideuteriomethyl)phenyl]-4,6-dimethylimidazo[4,5-b]pyridin-4-ium;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164826271

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium?
The IUPAC name of 2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium (CID 164825451) is 2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium.
What is the SMILES notation for 2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium?
The canonical SMILES for 2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium is Cc1cc(C)c(-n2c(-c3cccc4c3oc3ccccc34)nc3cc(C)c[n+](C)c32)c(C)c1.
What is the InChIKey of 2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium?
The InChIKey is PZBFIOAUZUZRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N3O/c1-17-13-19(3)26(20(4)14-17)32-28(30-24-15-18(2)16-31(5)29(24)32)23-11-8-10-22-21-9-6-7-12-25(21)33-27(22)23/h6-16H,1-5H3/q+1.
What are the key properties of 2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium?
2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium has a molecular weight of 432.55 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium is sourced from PubChem (CID 164825451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).