8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline

C38H26N4 — CID 163886694

About 8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline

8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline (PubChem CID 163886694) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline.

Molecular Properties

• Compound Name: 8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline
• PubChem CID: 163886694
• Molecular Formula: C38H26N4
• Molecular Weight: 538.65 g/mol
• Exact Mass: 538.22
• IUPAC Name: 8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline
• SMILES: c1ccc2cc(Cn3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc3-c3ccc4ccccc4c3)ccc2c1
• InChI: InChI=1S/C38H26N4/c1-3-9-32-23-26(14-15-27(32)7-1)25-42-38(34-21-16-28-8-2-4-10-33(28)24-34)40-37(41-42)31-19-17-29(18-20-31)35-13-5-11-30-12-6-22-39-36(30)35/h1-24H,25H2
• InChIKey: PXYHONLNNJJPEN-UHFFFAOYSA-N
• XLogP: 9.18
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.65
LogP ≤ 5	9.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline?

The IUPAC name of 8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline (CID 163886694) is 8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline.

What is the SMILES notation for 8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline?

The canonical SMILES for 8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline is c1ccc2cc(Cn3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc3-c3ccc4ccccc4c3)ccc2c1.

What is the InChIKey of 8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline?

The InChIKey is PXYHONLNNJJPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-3-9-32-23-26(14-15-27(32)7-1)25-42-38(34-21-16-28-8-2-4-10-33(28)24-34)40-37(41-42)31-19-17-29(18-20-31)35-13-5-11-30-12-6-22-39-36(30)35/h1-24H,25H2.

What are the key properties of 8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline?

8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline has a molecular weight of 538.65 g/mol, XLogP of 9.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[5-naphthalen-2-yl-1-(naphthalen-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]quinoline is sourced from PubChem (CID 163886694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).