4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine

C34H33NOS — CID 171718083

About 4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine

4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine (PubChem CID 171718083) has the molecular formula C34H33NOS and a molecular weight of 503.71 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine.

Molecular Properties

• Compound Name: 4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine
• PubChem CID: 171718083
• Molecular Formula: C34H33NOS
• Molecular Weight: 503.71 g/mol
• Exact Mass: 503.23
• IUPAC Name: 4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine
• SMILES: Cc1oc2ccc(-c3cc4c(-c5cc(C(C)(C)C)c6ccccc6c5)nccc4s3)cc2c1CC(C)C
• InChI: InChI=1S/C34H33NOS/c1-20(2)15-26-21(3)36-30-12-11-23(17-27(26)30)32-19-28-31(37-32)13-14-35-33(28)24-16-22-9-7-8-10-25(22)29(18-24)34(4,5)6/h7-14,16-20H,15H2,1-6H3
• InChIKey: ODHXEQMCVPMWPW-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 26.03 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.71
LogP ≤ 5	10.33
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)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine?

The IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine (CID 171718083) is 4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine.

What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine?

The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine is Cc1oc2ccc(-c3cc4c(-c5cc(C(C)(C)C)c6ccccc6c5)nccc4s3)cc2c1CC(C)C.

What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine?

The InChIKey is ODHXEQMCVPMWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NOS/c1-20(2)15-26-21(3)36-30-12-11-23(17-27(26)30)32-19-28-31(37-32)13-14-35-33(28)24-16-22-9-7-8-10-25(22)29(18-24)34(4,5)6/h7-14,16-20H,15H2,1-6H3.

What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine?

4-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine has a molecular weight of 503.71 g/mol, XLogP of 10.33, 4 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)-2-[2-methyl-3-(2-methylpropyl)-1-benzofuran-5-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 171718083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).