4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile

C32H18N6 — CID 126542233

About 4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile

4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile (PubChem CID 126542233) has the molecular formula C32H18N6 and a molecular weight of 486.54 g/mol. Its IUPAC name is 4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile
• PubChem CID: 126542233
• Molecular Formula: C32H18N6
• Molecular Weight: 486.54 g/mol
• Exact Mass: 486.16
• IUPAC Name: 4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile
• SMILES: N#Cc1cc(-c2cccc(-c3cccc4c(-c5cccc(-c6ccnc(C#N)c6)n5)cccc34)n2)ccn1
• InChI: InChI=1S/C32H18N6/c33-19-23-17-21(13-15-35-23)29-9-3-11-31(37-29)27-7-1-5-25-26(27)6-2-8-28(25)32-12-4-10-30(38-32)22-14-16-36-24(18-22)20-34/h1-18H
• InChIKey: ICKJHISDBLLYFS-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 99.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.54
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile?

The IUPAC name of 4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile (CID 126542233) is 4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile.

What is the SMILES notation for 4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile?

The canonical SMILES for 4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile is N#Cc1cc(-c2cccc(-c3cccc4c(-c5cccc(-c6ccnc(C#N)c6)n5)cccc34)n2)ccn1.

What is the InChIKey of 4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile?

The InChIKey is ICKJHISDBLLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N6/c33-19-23-17-21(13-15-35-23)29-9-3-11-31(37-29)27-7-1-5-25-26(27)6-2-8-28(25)32-12-4-10-30(38-32)22-14-16-36-24(18-22)20-34/h1-18H.

What are the key properties of 4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile?

4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 486.54 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 126542233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).