4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile

C42H26N4 — CID 146654056

About 4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile

4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile (PubChem CID 146654056) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
• PubChem CID: 146654056
• Molecular Formula: C42H26N4
• Molecular Weight: 586.70 g/mol
• Exact Mass: 586.22
• IUPAC Name: 4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2cccc3cc(-c4ccc5c(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cccc5c4)ccc23)cc1
• InChI: InChI=1S/C42H26N4/c43-27-28-13-15-29(16-14-28)35-9-5-7-32-23-30(17-19-37(32)35)31-18-20-38-33(24-31)8-6-10-36(38)34-25-41(39-11-1-3-21-44-39)46-42(26-34)40-12-2-4-22-45-40/h1-26H
• InChIKey: GYYOQRPEVMWENF-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-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile?

The IUPAC name of 4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile (CID 146654056) is 4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile.

What is the SMILES notation for 4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile?

The canonical SMILES for 4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile is N#Cc1ccc(-c2cccc3cc(-c4ccc5c(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cccc5c4)ccc23)cc1.

What is the InChIKey of 4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile?

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

What are the key properties of 4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile?

4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-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-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile is sourced from PubChem (CID 146654056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).