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

C31H27NOS — CID 171718566

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

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine (PubChem CID 171718566) has the molecular formula C31H27NOS and a molecular weight of 461.63 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine.

Molecular Properties

• Compound Name: 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine
• PubChem CID: 171718566
• Molecular Formula: C31H27NOS
• Molecular Weight: 461.63 g/mol
• Exact Mass: 461.18
• IUPAC Name: 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine
• SMILES: Cc1c(-c2oc3c(-c4cc(C(C)(C)C)c5ccccc5c4)nccc3c2C)sc2ccccc12
• InChI: InChI=1S/C31H27NOS/c1-18-23-14-15-32-27(21-16-20-10-6-7-12-24(20)25(17-21)31(3,4)5)29(23)33-28(18)30-19(2)22-11-8-9-13-26(22)34-30/h6-17H,1-5H3
• InChIKey: CKUDQQTVMWUSNZ-UHFFFAOYSA-N
• XLogP: 9.44
• TPSA: 26.03 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.63
LogP ≤ 5	9.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine (CID 171718566) is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine.

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

The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine is Cc1c(-c2oc3c(-c4cc(C(C)(C)C)c5ccccc5c4)nccc3c2C)sc2ccccc12.

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

The InChIKey is CKUDQQTVMWUSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NOS/c1-18-23-14-15-32-27(21-16-20-10-6-7-12-24(20)25(17-21)31(3,4)5)29(23)33-28(18)30-19(2)22-11-8-9-13-26(22)34-30/h6-17H,1-5H3.

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

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine has a molecular weight of 461.63 g/mol, XLogP of 9.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine is sourced from PubChem (CID 171718566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).