4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine

C46H35N3O — CID 164826545

IUPAC4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nccc2nc(-c3cccc4c3oc3cc(-c5ccc(-c6ccccc6)cc5)ccc34)n(-c3ccc(-c4ccccc4)cc3)c12
InChIInChI=1S/C46H35N3O/c1-46(2,3)44-42-40(27-28-47-44)48-45(49(42)36-24-21-33(22-25-36)31-13-8-5-9-14-31)39-16-10-15-38-37-26-23-35(29-41(37)50-43(38)39)34-19-17-32(18-20-34)30-11-6-4-7-12-30/h4-29H,1-3H3
InChIKeyMUEPTHQQBKZWGJ-UHFFFAOYSA-N
MW645.81 g/mol
LogP12.29
Rot. Bonds5

About 4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine

4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine (PubChem CID 164826545) has the molecular formula C46H35N3O and a molecular weight of 645.81 g/mol. Its IUPAC name is 4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
PubChem CID164826545
Molecular FormulaC46H35N3O
Molecular Weight645.81 g/mol
Exact Mass645.28
IUPAC Name4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nccc2nc(-c3cccc4c3oc3cc(-c5ccc(-c6ccccc6)cc5)ccc34)n(-c3ccc(-c4ccccc4)cc3)c12
InChIInChI=1S/C46H35N3O/c1-46(2,3)44-42-40(27-28-47-44)48-45(49(42)36-24-21-33(22-25-36)31-13-8-5-9-14-31)39-16-10-15-38-37-26-23-35(29-41(37)50-43(38)39)34-19-17-32(18-20-34)30-11-6-4-7-12-30/h4-29H,1-3H3
InChIKeyMUEPTHQQBKZWGJ-UHFFFAOYSA-N
XLogP12.29
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.81
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]quinoline
CID 164825385
6-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164826959
1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361
5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164824506
2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole
CID 169044075
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668442
6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine
CID 164825526
trimethyl-[6-(7-methyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]silane
CID 164826478
[6-(6-tert-butyl-3-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
CID 164826811
[6-(6-tert-butyl-1-phenylimidazo[4,5-c]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
CID 164825170
7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
CID 171435999

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine (CID 164826545) is 4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine is CC(C)(C)c1nccc2nc(-c3cccc4c3oc3cc(-c5ccc(-c6ccccc6)cc5)ccc34)n(-c3ccc(-c4ccccc4)cc3)c12.
What is the InChIKey of 4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine?
The InChIKey is MUEPTHQQBKZWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3O/c1-46(2,3)44-42-40(27-28-47-44)48-45(49(42)36-24-21-33(22-25-36)31-13-8-5-9-14-31)39-16-10-15-38-37-26-23-35(29-41(37)50-43(38)39)34-19-17-32(18-20-34)30-11-6-4-7-12-30/h4-29H,1-3H3.
What are the key properties of 4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine?
4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine has a molecular weight of 645.81 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 164826545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).