8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine

C47H38N4O — CID 156667463

IUPAC8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc2nc(-c3cccc4c3oc3nc(-c5ccccc5)ccc34)n(-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c2c(C)n1
InChIInChI=1S/C47H38N4O/c1-29-26-41-42(30(2)48-29)51(43-38(31-16-9-6-10-17-31)27-34(47(3,4)5)28-39(43)32-18-11-7-12-19-32)45(49-41)37-23-15-22-35-36-24-25-40(33-20-13-8-14-21-33)50-46(36)52-44(35)37/h6-28H,1-5H3
InChIKeyZDVPLZXFHWFWQJ-UHFFFAOYSA-N
MW674.85 g/mol
LogP12.30
Rot. Bonds5

About 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine

8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156667463) has the molecular formula C47H38N4O and a molecular weight of 674.85 g/mol. Its IUPAC name is 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
PubChem CID156667463
Molecular FormulaC47H38N4O
Molecular Weight674.85 g/mol
Exact Mass674.30
IUPAC Name8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc2nc(-c3cccc4c3oc3nc(-c5ccccc5)ccc34)n(-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c2c(C)n1
InChIInChI=1S/C47H38N4O/c1-29-26-41-42(30(2)48-29)51(43-38(31-16-9-6-10-17-31)27-34(47(3,4)5)28-39(43)32-18-11-7-12-19-32)45(49-41)37-23-15-22-35-36-24-25-40(33-20-13-8-14-21-33)50-46(36)52-44(35)37/h6-28H,1-5H3
InChIKeyZDVPLZXFHWFWQJ-UHFFFAOYSA-N
XLogP12.30
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

3-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(1-cyclopentylethyl)dibenzofuran-4-yl]-4,6-dimethylimidazo[4,5-c]pyridine
CID 156669038
8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]germane
CID 156667462
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
4,6-dimethyl-2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]pyridine
CID 164824756
8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine
CID 156671268
2-phenyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670352
8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156668870
8-[1-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(3,5-ditert-butylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 176646015
8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 156670394
2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668098
2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669508
2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol
CID 167356162

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine (CID 156667463) is 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine is Cc1cc2nc(-c3cccc4c3oc3nc(-c5ccccc5)ccc34)n(-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c2c(C)n1.
What is the InChIKey of 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is ZDVPLZXFHWFWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N4O/c1-29-26-41-42(30(2)48-29)51(43-38(31-16-9-6-10-17-31)27-34(47(3,4)5)28-39(43)32-18-11-7-12-19-32)45(49-41)37-23-15-22-35-36-24-25-40(33-20-13-8-14-21-33)50-46(36)52-44(35)37/h6-28H,1-5H3.
What are the key properties of 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine?
8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 674.85 g/mol, XLogP of 12.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156667463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).