8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine

C35H32N2O — CID 168827554

IUPAC8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2cccc3c2oc2nc(-c4c(C)cc(-c5ccccc5)cc4C)ccc23)ncc1C(C)(C)C
InChIInChI=1S/C35H32N2O/c1-21-19-31(36-20-29(21)35(4,5)6)28-14-10-13-26-27-15-16-30(37-34(27)38-33(26)28)32-22(2)17-25(18-23(32)3)24-11-8-7-9-12-24/h7-20H,1-6H3
InChIKeyCLSWMUDKQWOGDM-UHFFFAOYSA-N
MW496.65 g/mol
LogP9.60
Rot. Bonds3

About 8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine

8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 168827554) has the molecular formula C35H32N2O and a molecular weight of 496.65 g/mol. Its IUPAC name is 8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID168827554
Molecular FormulaC35H32N2O
Molecular Weight496.65 g/mol
Exact Mass496.25
IUPAC Name8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2cccc3c2oc2nc(-c4c(C)cc(-c5ccccc5)cc4C)ccc23)ncc1C(C)(C)C
InChIInChI=1S/C35H32N2O/c1-21-19-31(36-20-29(21)35(4,5)6)28-14-10-13-26-27-15-16-30(37-34(27)38-33(26)28)32-22(2)17-25(18-23(32)3)24-11-8-7-9-12-24/h7-20H,1-6H3
InChIKeyCLSWMUDKQWOGDM-UHFFFAOYSA-N
XLogP9.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168827656
2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168827731
8-[5-(1,1-dideuterio-2,2-dimethylpropyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827971
2-[2,6-di(propan-2-yl)phenyl]-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 168827491
5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 170152904
2-methyl-8-[5-methyl-4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779482
2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155612019
7-[4-(2,6-dimethyl-4-phenylphenyl)-5-methyl-2-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole
CID 158986738
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
2-methyl-8-[4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779070
2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 168827574

Frequently Asked Questions

What is the IUPAC name of 8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine (CID 168827554) is 8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine is Cc1cc(-c2cccc3c2oc2nc(-c4c(C)cc(-c5ccccc5)cc4C)ccc23)ncc1C(C)(C)C.
What is the InChIKey of 8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is CLSWMUDKQWOGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O/c1-21-19-31(36-20-29(21)35(4,5)6)28-14-10-13-26-27-15-16-30(37-34(27)38-33(26)28)32-22(2)17-25(18-23(32)3)24-11-8-7-9-12-24/h7-20H,1-6H3.
What are the key properties of 8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine?
8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 496.65 g/mol, XLogP of 9.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168827554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).