6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine

C28H23N3O — CID 164826557

IUPAC6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine
SMILESCC(C)(C)c1cnc2nc(-c3cccc4c3oc3ccccc34)n(-c3ccccc3)c2c1
InChIInChI=1S/C28H23N3O/c1-28(2,3)18-16-23-26(29-17-18)30-27(31(23)19-10-5-4-6-11-19)22-14-9-13-21-20-12-7-8-15-24(20)32-25(21)22/h4-17H,1-3H3
InChIKeyFPGHOECYRVABOR-UHFFFAOYSA-N
MW417.51 g/mol
LogP7.28
Rot. Bonds2

About 6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine

6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine (PubChem CID 164826557) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine
PubChem CID164826557
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC Name6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine
SMILESCC(C)(C)c1cnc2nc(-c3cccc4c3oc3ccccc34)n(-c3ccccc3)c2c1
InChIInChI=1S/C28H23N3O/c1-28(2,3)18-16-23-26(29-17-18)30-27(31(23)19-10-5-4-6-11-19)22-14-9-13-21-20-12-7-8-15-24(20)32-25(21)22/h4-17H,1-3H3
InChIKeyFPGHOECYRVABOR-UHFFFAOYSA-N
XLogP7.28
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
CID 164826115
6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
CID 164826244
6-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164826959
7-tert-butyl-2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 164827202
2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 156658408
[6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
CID 164825170
[6-(6-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
CID 164826811
2-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657
5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164824506
2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
CID 164825150
2-(7-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164827019
2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole
CID 169044075

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine (CID 164826557) is 6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine is CC(C)(C)c1cnc2nc(-c3cccc4c3oc3ccccc34)n(-c3ccccc3)c2c1.
What is the InChIKey of 6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine?
The InChIKey is FPGHOECYRVABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O/c1-28(2,3)18-16-23-26(29-17-18)30-27(31(23)19-10-5-4-6-11-19)22-14-9-13-21-20-12-7-8-15-24(20)32-25(21)22/h4-17H,1-3H3.
What are the key properties of 6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine?
6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine has a molecular weight of 417.51 g/mol, XLogP of 7.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 164826557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).