2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C35H40N2O — CID 168827731

About 2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 168827731) has the molecular formula C35H40N2O and a molecular weight of 504.72 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 168827731
• Molecular Formula: C35H40N2O
• Molecular Weight: 504.72 g/mol
• Exact Mass: 504.31
• IUPAC Name: 2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
• SMILES: CCC(C)(CC)c1cnc(-c2cccc3c2oc2nc(-c4c(C(C)C)cccc4C(C)C)ccc23)cc1C
• InChI: InChI=1S/C35H40N2O/c1-9-35(8,10-2)29-20-36-31(19-23(29)7)28-16-12-15-26-27-17-18-30(37-34(27)38-33(26)28)32-24(21(3)4)13-11-14-25(32)22(5)6/h11-22H,9-10H2,1-8H3
• InChIKey: SFZCHFNGQDUSEZ-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.72
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 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) is 2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is CCC(C)(CC)c1cnc(-c2cccc3c2oc2nc(-c4c(C(C)C)cccc4C(C)C)ccc23)cc1C.

What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is SFZCHFNGQDUSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N2O/c1-9-35(8,10-2)29-20-36-31(19-23(29)7)28-16-12-15-26-27-17-18-30(37-34(27)38-33(26)28)32-24(21(3)4)13-11-14-25(32)22(5)6/h11-22H,9-10H2,1-8H3.

What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?

2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 504.72 g/mol, XLogP of 10.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168827731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).