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

C33H29N3O2 — CID 140742031

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

2-methyl-8-[4-methyl-6-[2-(4-methyl-6-phenoxy-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 140742031) has the molecular formula C33H29N3O2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 2-methyl-8-[4-methyl-6-[2-(4-methyl-6-phenoxy-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-phenoxy-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 140742031
• Molecular Formula: C33H29N3O2
• Molecular Weight: 499.61 g/mol
• Exact Mass: 499.23
• IUPAC Name: 2-methyl-8-[4-methyl-6-[2-(4-methyl-6-phenoxy-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1cc(Oc2ccccc2)nc(C(C)(C)c2cc(C)cc(-c3cccc4c3oc3nc(C)ccc34)n2)c1
• InChI: InChI=1S/C33H29N3O2/c1-20-16-27(26-13-9-12-24-25-15-14-22(3)34-32(25)38-31(24)26)35-28(17-20)33(4,5)29-18-21(2)19-30(36-29)37-23-10-7-6-8-11-23/h6-19H,1-5H3
• InChIKey: XDUCSNDNDVPHFD-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 61.04 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[4-methyl-6-[2-(4-methyl-6-phenoxy-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-phenoxy-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 140742031) is 2-methyl-8-[4-methyl-6-[2-(4-methyl-6-phenoxy-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-phenoxy-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-phenoxy-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Cc1cc(Oc2ccccc2)nc(C(C)(C)c2cc(C)cc(-c3cccc4c3oc3nc(C)ccc34)n2)c1.

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

The InChIKey is XDUCSNDNDVPHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O2/c1-20-16-27(26-13-9-12-24-25-15-14-22(3)34-32(25)38-31(24)26)35-28(17-20)33(4,5)29-18-21(2)19-30(36-29)37-23-10-7-6-8-11-23/h6-19H,1-5H3.

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

2-methyl-8-[4-methyl-6-[2-(4-methyl-6-phenoxy-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 499.61 g/mol, XLogP of 8.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-8-[4-methyl-6-[2-(4-methyl-6-phenoxy-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 140742031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).