1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine

C29H33NO — CID 176812431

About 1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine

1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine (PubChem CID 176812431) has the molecular formula C29H33NO and a molecular weight of 411.59 g/mol. Its IUPAC name is 1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 176812431
• Molecular Formula: C29H33NO
• Molecular Weight: 411.59 g/mol
• Exact Mass: 411.26
• IUPAC Name: 1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine
• SMILES: CC(C)(C)c1cc(-c2nccc3c4c(oc23)C(C)(C)CCC4(C)C)cc2ccccc12
• InChI: InChI=1S/C29H33NO/c1-27(2,3)22-17-19(16-18-10-8-9-11-20(18)22)24-25-21(12-15-30-24)23-26(31-25)29(6,7)14-13-28(23,4)5/h8-12,15-17H,13-14H2,1-7H3
• InChIKey: SDAFXCOMHHEPTF-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.59
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine (CID 176812431) is 1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine is CC(C)(C)c1cc(-c2nccc3c4c(oc23)C(C)(C)CCC4(C)C)cc2ccccc12.

What is the InChIKey of 1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine?

The InChIKey is SDAFXCOMHHEPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO/c1-27(2,3)22-17-19(16-18-10-8-9-11-20(18)22)24-25-21(12-15-30-24)23-26(31-25)29(6,7)14-13-28(23,4)5/h8-12,15-17H,13-14H2,1-7H3.

What are the key properties of 1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine?

1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine has a molecular weight of 411.59 g/mol, XLogP of 8.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 176812431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).