7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine

C28H22N2OS — CID 171718587

About 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine (PubChem CID 171718587) has the molecular formula C28H22N2OS and a molecular weight of 434.56 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine
• PubChem CID: 171718587
• Molecular Formula: C28H22N2OS
• Molecular Weight: 434.56 g/mol
• Exact Mass: 434.15
• IUPAC Name: 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine
• SMILES: CC(C)(C)c1cc(-c2nccc3cc(-c4cc5sccc5cn4)oc23)cc2ccccc12
• InChI: InChI=1S/C28H22N2OS/c1-28(2,3)22-13-20(12-17-6-4-5-7-21(17)22)26-27-18(8-10-29-26)14-24(31-27)23-15-25-19(16-30-23)9-11-32-25/h4-16H,1-3H3
• InChIKey: IJCZOQAPWBYQHA-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 38.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.56
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine?

The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine (CID 171718587) is 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine.

What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine?

The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine is CC(C)(C)c1cc(-c2nccc3cc(-c4cc5sccc5cn4)oc23)cc2ccccc12.

What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine?

The InChIKey is IJCZOQAPWBYQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2OS/c1-28(2,3)22-13-20(12-17-6-4-5-7-21(17)22)26-27-18(8-10-29-26)14-24(31-27)23-15-25-19(16-30-23)9-11-32-25/h4-16H,1-3H3.

What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine?

7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine has a molecular weight of 434.56 g/mol, XLogP of 8.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine is sourced from PubChem (CID 171718587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).