2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine

C29H27F2N — CID 165383632

About 2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine

2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine (PubChem CID 165383632) has the molecular formula C29H27F2N and a molecular weight of 427.54 g/mol. Its IUPAC name is 2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine.

Molecular Properties

• Compound Name: 2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine
• PubChem CID: 165383632
• Molecular Formula: C29H27F2N
• Molecular Weight: 427.54 g/mol
• Exact Mass: 427.21
• IUPAC Name: 2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc4c(c3)CC(F)(F)CC4)ccn2)cc2ccccc12
• InChI: InChI=1S/C29H27F2N/c1-28(2,3)26-16-23(15-22-6-4-5-7-25(22)26)27-17-21(11-13-32-27)20-9-8-19-10-12-29(30,31)18-24(19)14-20/h4-9,11,13-17H,10,12,18H2,1-3H3
• InChIKey: DVXCFWONRCLVHC-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.54
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine?

The IUPAC name of 2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine (CID 165383632) is 2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine.

What is the SMILES notation for 2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine?

The canonical SMILES for 2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine is CC(C)(C)c1cc(-c2cc(-c3ccc4c(c3)CC(F)(F)CC4)ccn2)cc2ccccc12.

What is the InChIKey of 2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine?

The InChIKey is DVXCFWONRCLVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N/c1-28(2,3)26-16-23(15-22-6-4-5-7-25(22)26)27-17-21(11-13-32-27)20-9-8-19-10-12-29(30,31)18-24(19)14-20/h4-9,11,13-17H,10,12,18H2,1-3H3.

What are the key properties of 2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine?

2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine has a molecular weight of 427.54 g/mol, XLogP of 7.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine is sourced from PubChem (CID 165383632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).