8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline

C39H26N4 — CID 166933091

About 8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline

8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 166933091) has the molecular formula C39H26N4 and a molecular weight of 550.67 g/mol. Its IUPAC name is 8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

• Compound Name: 8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline
• PubChem CID: 166933091
• Molecular Formula: C39H26N4
• Molecular Weight: 550.67 g/mol
• Exact Mass: 550.22
• IUPAC Name: 8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline
• SMILES: Cc1ccc2ccc(-c3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc(-c4ccc5ccccc5c4)n3)cc2c1
• InChI: InChI=1S/C39H26N4/c1-25-11-12-27-14-20-33(24-34(27)22-25)39-42-37(41-38(43-39)32-19-13-26-6-2-3-7-31(26)23-32)30-17-15-28(16-18-30)35-10-4-8-29-9-5-21-40-36(29)35/h2-24H,1H3
• InChIKey: PUHQFESCAYSNIX-UHFFFAOYSA-N
• XLogP: 9.70
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.67
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline?

The IUPAC name of 8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline (CID 166933091) is 8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline.

What is the SMILES notation for 8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline?

The canonical SMILES for 8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline is Cc1ccc2ccc(-c3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc(-c4ccc5ccccc5c4)n3)cc2c1.

What is the InChIKey of 8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline?

The InChIKey is PUHQFESCAYSNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4/c1-25-11-12-27-14-20-33(24-34(27)22-25)39-42-37(41-38(43-39)32-19-13-26-6-2-3-7-31(26)23-32)30-17-15-28(16-18-30)35-10-4-8-29-9-5-21-40-36(29)35/h2-24H,1H3.

What are the key properties of 8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline?

8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 550.67 g/mol, XLogP of 9.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[4-(7-methylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 166933091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).