5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine

C28H22N2OS — CID 171717980

About 5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine

5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine (PubChem CID 171717980) has the molecular formula C28H22N2OS and a molecular weight of 434.56 g/mol. Its IUPAC name is 5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine
• PubChem CID: 171717980
• Molecular Formula: C28H22N2OS
• Molecular Weight: 434.56 g/mol
• Exact Mass: 434.15
• IUPAC Name: 5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine
• SMILES: CC(C)(C)c1cc(-c2nccc3sc(-c4ccc5occc5n4)cc23)cc2ccccc12
• InChI: InChI=1S/C28H22N2OS/c1-28(2,3)21-15-18(14-17-6-4-5-7-19(17)21)27-20-16-26(32-25(20)10-12-29-27)23-8-9-24-22(30-23)11-13-31-24/h4-16H,1-3H3
• InChIKey: KFCAZVHQFZNXEQ-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 5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine?

The IUPAC name of 5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine (CID 171717980) is 5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine.

What is the SMILES notation for 5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine?

The canonical SMILES for 5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine is CC(C)(C)c1cc(-c2nccc3sc(-c4ccc5occc5n4)cc23)cc2ccccc12.

What is the InChIKey of 5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine?

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

What are the key properties of 5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine?

5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]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 5-[4-(4-tert-butylnaphthalen-2-yl)thieno[3,2-c]pyridin-2-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 171717980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).