7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine

C32H41NS — CID 172542957

About 7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine (PubChem CID 172542957) has the molecular formula C32H41NS and a molecular weight of 471.75 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine.

Molecular Properties

• Compound Name: 7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine
• PubChem CID: 172542957
• Molecular Formula: C32H41NS
• Molecular Weight: 471.75 g/mol
• Exact Mass: 471.30
• IUPAC Name: 7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine
• SMILES: Cc1c(C(C(C)C)(C(C)C)C(C)C)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
• InChI: InChI=1S/C32H41NS/c1-19(2)32(20(3)4,21(5)6)30-22(7)25-15-16-33-28(29(25)34-30)24-17-23-13-11-12-14-26(23)27(18-24)31(8,9)10/h11-21H,1-10H3
• InChIKey: MRMUTHKJPHKKMC-UHFFFAOYSA-N
• XLogP: 9.93
• TPSA: 12.89 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.75
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine?

The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine (CID 172542957) is 7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine.

What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine?

The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine is Cc1c(C(C(C)C)(C(C)C)C(C)C)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.

What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine?

The InChIKey is MRMUTHKJPHKKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41NS/c1-19(2)32(20(3)4,21(5)6)30-22(7)25-15-16-33-28(29(25)34-30)24-17-23-13-11-12-14-26(23)27(18-24)31(8,9)10/h11-21H,1-10H3.

What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine?

7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine has a molecular weight of 471.75 g/mol, XLogP of 9.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine is sourced from PubChem (CID 172542957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).