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

C35H32N2O — CID 168827656

IUPAC2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2cccc3c2oc2nc(-c4c(C)cc(-c5ccccc5)cc4C)ccc23)ncc1CC(C)C
InChIInChI=1S/C35H32N2O/c1-21(2)16-27-20-36-32(19-22(27)3)30-13-9-12-28-29-14-15-31(37-35(29)38-34(28)30)33-23(4)17-26(18-24(33)5)25-10-7-6-8-11-25/h6-15,17-21H,16H2,1-5H3
InChIKeyFGYIONWKHOFBRG-UHFFFAOYSA-N
MW496.65 g/mol
LogP9.50
Rot. Bonds5

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

2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 168827656) has the molecular formula C35H32N2O and a molecular weight of 496.65 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID168827656
Molecular FormulaC35H32N2O
Molecular Weight496.65 g/mol
Exact Mass496.25
IUPAC Name2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2cccc3c2oc2nc(-c4c(C)cc(-c5ccccc5)cc4C)ccc23)ncc1CC(C)C
InChIInChI=1S/C35H32N2O/c1-21(2)16-27-20-36-32(19-22(27)3)30-13-9-12-28-29-14-15-31(37-35(29)38-34(28)30)33-23(4)17-26(18-24(33)5)25-10-7-6-8-11-25/h6-15,17-21H,16H2,1-5H3
InChIKeyFGYIONWKHOFBRG-UHFFFAOYSA-N
XLogP9.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827554
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
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-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
4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;iridium;8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 168827721
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
2-(2,6-dimethyl-3-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;2-phenylpyridine
CID 168827968
2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]cyclohexyl]ethyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 158586351
8-[4-(1,1-dideuterioethyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 157270726

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 168827656) is 2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Cc1cc(-c2cccc3c2oc2nc(-c4c(C)cc(-c5ccccc5)cc4C)ccc23)ncc1CC(C)C.
What is the InChIKey of 2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is FGYIONWKHOFBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O/c1-21(2)16-27-20-36-32(19-22(27)3)30-13-9-12-28-29-14-15-31(37-35(29)38-34(28)30)33-23(4)17-26(18-24(33)5)25-10-7-6-8-11-25/h6-15,17-21H,16H2,1-5H3.
What are the key properties of 2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 496.65 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168827656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).