8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

C33H32N2OS — CID 155629206

About 8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 155629206) has the molecular formula C33H32N2OS and a molecular weight of 504.70 g/mol. Its IUPAC name is 8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 155629206
• Molecular Formula: C33H32N2OS
• Molecular Weight: 504.70 g/mol
• Exact Mass: 504.22
• IUPAC Name: 8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3ccc4sc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4n3)cccc12
• InChI: InChI=1S/C33H32N2OS/c1-19-11-12-24-23-9-8-10-25(30(23)36-31(24)34-19)26-13-14-28-27(35-26)18-29(37-28)20-15-21(32(2,3)4)17-22(16-20)33(5,6)7/h8-18H,1-7H3
• InChIKey: DPRIEVDKYPGWCS-UHFFFAOYSA-N
• XLogP: 9.83
• TPSA: 38.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.70
LogP ≤ 5	9.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 155629206) is 8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3ccc4sc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4n3)cccc12.

What is the InChIKey of 8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is DPRIEVDKYPGWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2OS/c1-19-11-12-24-23-9-8-10-25(30(23)36-31(24)34-19)26-13-14-28-27(35-26)18-29(37-28)20-15-21(32(2,3)4)17-22(16-20)33(5,6)7/h8-18H,1-7H3.

What are the key properties of 8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 504.70 g/mol, XLogP of 9.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(3,5-ditert-butylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155629206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).