4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile

C42H26N4 — CID 146654074

About 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile

4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile (PubChem CID 146654074) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
• PubChem CID: 146654074
• Molecular Formula: C42H26N4
• Molecular Weight: 586.70 g/mol
• Exact Mass: 586.22
• IUPAC Name: 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2cc3ccccc3cc2-c2cc3ccccc3cc2-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
• InChI: InChI=1S/C42H26N4/c43-27-28-15-17-29(18-16-28)35-21-30-9-1-3-11-32(30)23-37(35)38-24-33-12-4-2-10-31(33)22-36(38)34-25-41(39-13-5-7-19-44-39)46-42(26-34)40-14-6-8-20-45-40/h1-26H
• InChIKey: PPFPBJZCYGXKQV-UHFFFAOYSA-N
• XLogP: 10.38
• TPSA: 62.46 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.70
LogP ≤ 5	10.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?

The IUPAC name of 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile (CID 146654074) is 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile.

What is the SMILES notation for 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?

The canonical SMILES for 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile is N#Cc1ccc(-c2cc3ccccc3cc2-c2cc3ccccc3cc2-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.

What is the InChIKey of 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?

The InChIKey is PPFPBJZCYGXKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c43-27-28-15-17-29(18-16-28)35-21-30-9-1-3-11-32(30)23-37(35)38-24-33-12-4-2-10-31(33)22-36(38)34-25-41(39-13-5-7-19-44-39)46-42(26-34)40-14-6-8-20-45-40/h1-26H.

What are the key properties of 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?

4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile has a molecular weight of 586.70 g/mol, XLogP of 10.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 146654074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).