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

C31H27NS2 — CID 165172664

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

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine (PubChem CID 165172664) has the molecular formula C31H27NS2 and a molecular weight of 477.70 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine.

Molecular Properties

• Compound Name: 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
• PubChem CID: 165172664
• Molecular Formula: C31H27NS2
• Molecular Weight: 477.70 g/mol
• Exact Mass: 477.16
• IUPAC Name: 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
• SMILES: Cc1c(-c2sc3c(-c4cc(C(C)(C)C)c5ccccc5c4)nccc3c2C)sc2ccccc12
• InChI: InChI=1S/C31H27NS2/c1-18-22-11-8-9-13-26(22)33-28(18)29-19(2)23-14-15-32-27(30(23)34-29)21-16-20-10-6-7-12-24(20)25(17-21)31(3,4)5/h6-17H,1-5H3
• InChIKey: PZPJNJXTHBXTMC-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 12.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.70
LogP ≤ 5	9.91
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)thieno[2,3-c]pyridine?

The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine (CID 165172664) is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[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)thieno[2,3-c]pyridine?

The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine is Cc1c(-c2sc3c(-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)thieno[2,3-c]pyridine?

The InChIKey is PZPJNJXTHBXTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NS2/c1-18-22-11-8-9-13-26(22)33-28(18)29-19(2)23-14-15-32-27(30(23)34-29)21-16-20-10-6-7-12-24(20)25(17-21)31(3,4)5/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)thieno[2,3-c]pyridine?

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine has a molecular weight of 477.70 g/mol, XLogP of 9.91, 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)thieno[2,3-c]pyridine is sourced from PubChem (CID 165172664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).