2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C34H31N3O — CID 140742099

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

2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 140742099) has the molecular formula C34H31N3O and a molecular weight of 497.64 g/mol. Its IUPAC name is 2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 140742099
• Molecular Formula: C34H31N3O
• Molecular Weight: 497.64 g/mol
• Exact Mass: 497.25
• IUPAC Name: 2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc(-c2cc(C)cc(C(C)(C)c3cc(C)cc(-c4cccc5c4oc4nc(C)ccc45)n3)n2)cc1
• InChI: InChI=1S/C34H31N3O/c1-20-10-13-24(14-11-20)28-16-21(2)18-30(36-28)34(5,6)31-19-22(3)17-29(37-31)27-9-7-8-25-26-15-12-23(4)35-33(26)38-32(25)27/h7-19H,1-6H3
• InChIKey: ONMFGVXDHJYZBD-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.64
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 140742099) is 2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

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

The canonical SMILES for 2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc(-c2cc(C)cc(C(C)(C)c3cc(C)cc(-c4cccc5c4oc4nc(C)ccc45)n3)n2)cc1.

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

The InChIKey is ONMFGVXDHJYZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O/c1-20-10-13-24(14-11-20)28-16-21(2)18-30(36-28)34(5,6)31-19-22(3)17-29(37-31)27-9-7-8-25-26-15-12-23(4)35-33(26)38-32(25)27/h7-19H,1-6H3.

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

2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 497.64 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 140742099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).