8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine

C32H32N2O — CID 168827967

IUPAC8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3ccc(C4CC(C)CC(C)C4)cn3)cccc12
InChIInChI=1S/C32H32N2O/c1-19-15-20(2)17-24(16-19)23-11-13-28(33-18-23)27-10-6-9-25-26-12-14-29(34-32(26)35-31(25)27)30-21(3)7-5-8-22(30)4/h5-14,18-20,24H,15-17H2,1-4H3
InChIKeyOETCBGMDXUNRTC-UHFFFAOYSA-N
MW460.62 g/mol
LogP8.87
Rot. Bonds3

About 8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine

8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 168827967) has the molecular formula C32H32N2O and a molecular weight of 460.62 g/mol. Its IUPAC name is 8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID168827967
Molecular FormulaC32H32N2O
Molecular Weight460.62 g/mol
Exact Mass460.25
IUPAC Name8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3ccc(C4CC(C)CC(C)C4)cn3)cccc12
InChIInChI=1S/C32H32N2O/c1-19-15-20(2)17-24(16-19)23-11-13-28(33-18-23)27-10-6-9-25-26-12-14-29(34-32(26)35-31(25)27)30-21(3)7-5-8-22(30)4/h5-14,18-20,24H,15-17H2,1-4H3
InChIKeyOETCBGMDXUNRTC-UHFFFAOYSA-N
XLogP8.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 168827574
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-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155612019
2-cyclopentyl-8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791331
8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827554
19-(2,6-dimethylphenyl)-16-oxa-9,18-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17(22),18,20,24-dodecaene
CID 157124627
2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168827656
CID 174116029
CID 174116029
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629009

Frequently Asked Questions

What is the IUPAC name of 8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine (CID 168827967) is 8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine is Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3ccc(C4CC(C)CC(C)C4)cn3)cccc12.
What is the InChIKey of 8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is OETCBGMDXUNRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O/c1-19-15-20(2)17-24(16-19)23-11-13-28(33-18-23)27-10-6-9-25-26-12-14-29(34-32(26)35-31(25)27)30-21(3)7-5-8-22(30)4/h5-14,18-20,24H,15-17H2,1-4H3.
What are the key properties of 8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine?
8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 460.62 g/mol, XLogP of 8.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168827967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).