4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine

C31H27NO2 — CID 171718233

About 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine

4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine (PubChem CID 171718233) has the molecular formula C31H27NO2 and a molecular weight of 445.56 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine.

Molecular Properties

• Compound Name: 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine
• PubChem CID: 171718233
• Molecular Formula: C31H27NO2
• Molecular Weight: 445.56 g/mol
• Exact Mass: 445.20
• IUPAC Name: 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine
• SMILES: Cc1coc2c(-c3oc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4c3C)cccc12
• InChI: InChI=1S/C31H27NO2/c1-18-17-33-30-22(18)11-8-12-24(30)29-19(2)27-26(34-29)13-14-32-28(27)21-15-20-9-6-7-10-23(20)25(16-21)31(3,4)5/h6-17H,1-5H3
• InChIKey: WWXSABHECQNBBZ-UHFFFAOYSA-N
• XLogP: 8.98
• TPSA: 39.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.56
LogP ≤ 5	8.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine?

The IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine (CID 171718233) is 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine.

What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine?

The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine is Cc1coc2c(-c3oc4ccnc(-c5cc(C(C)(C)C)c6ccccc6c5)c4c3C)cccc12.

What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine?

The InChIKey is WWXSABHECQNBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO2/c1-18-17-33-30-22(18)11-8-12-24(30)29-19(2)27-26(34-29)13-14-32-28(27)21-15-20-9-6-7-10-23(20)25(16-21)31(3,4)5/h6-17H,1-5H3.

What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine?

4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine has a molecular weight of 445.56 g/mol, XLogP of 8.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine is sourced from PubChem (CID 171718233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).