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

C30H25NO2 — CID 170660593

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

7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine (PubChem CID 170660593) has the molecular formula C30H25NO2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine.

Molecular Properties

• Compound Name: 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine
• PubChem CID: 170660593
• Molecular Formula: C30H25NO2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.19
• IUPAC Name: 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine
• SMILES: Cc1c(-c2cc3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3o2)oc2ccccc12
• InChI: InChI=1S/C30H25NO2/c1-18-22-10-7-8-12-25(22)32-28(18)26-17-20-13-14-31-27(29(20)33-26)21-15-19-9-5-6-11-23(19)24(16-21)30(2,3)4/h5-17H,1-4H3
• InChIKey: FUZMGPYUHUVLGT-UHFFFAOYSA-N
• XLogP: 8.67
• TPSA: 39.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	8.67
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)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine?

The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine (CID 170660593) is 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine.

What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine?

The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine is Cc1c(-c2cc3ccnc(-c4cc(C(C)(C)C)c5ccccc5c4)c3o2)oc2ccccc12.

What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine?

The InChIKey is FUZMGPYUHUVLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO2/c1-18-22-10-7-8-12-25(22)32-28(18)26-17-20-13-14-31-27(29(20)33-26)21-15-19-9-5-6-11-23(19)24(16-21)30(2,3)4/h5-17H,1-4H3.

What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine?

7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine has a molecular weight of 431.54 g/mol, XLogP of 8.67, 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)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine is sourced from PubChem (CID 170660593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).