9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole

C56H34N4O — CID 176764556

About 9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole

9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole (PubChem CID 176764556) has the molecular formula C56H34N4O and a molecular weight of 778.92 g/mol. Its IUPAC name is 9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole.

Molecular Properties

• Compound Name: 9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
• PubChem CID: 176764556
• Molecular Formula: C56H34N4O
• Molecular Weight: 778.92 g/mol
• Exact Mass: 778.27
• IUPAC Name: 9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
• SMILES: c1ccc(-c2nc3ccc4cccc(-c5ccc6cccc(-c7nc(-c8ccc(-c9ccc%10ccccc%10c9)cc8)nc(-c8ccc9ccccc9c8)n7)c6c5)c4c3o2)cc1
• InChI: InChI=1S/C56H34N4O/c1-2-12-41(13-3-1)56-57-50-31-30-39-17-9-18-47(51(39)52(50)61-56)45-28-24-38-16-8-19-48(49(38)34-45)55-59-53(58-54(60-55)46-29-23-36-11-5-7-15-43(36)33-46)40-25-20-37(21-26-40)44-27-22-35-10-4-6-14-42(35)32-44/h1-34H
• InChIKey: VJJSEBLWQYVTKQ-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 64.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.92
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole?

The IUPAC name of 9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole (CID 176764556) is 9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole.

What is the SMILES notation for 9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole?

The canonical SMILES for 9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole is c1ccc(-c2nc3ccc4cccc(-c5ccc6cccc(-c7nc(-c8ccc(-c9ccc%10ccccc%10c9)cc8)nc(-c8ccc9ccccc9c8)n7)c6c5)c4c3o2)cc1.

What is the InChIKey of 9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole?

The InChIKey is VJJSEBLWQYVTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O/c1-2-12-41(13-3-1)56-57-50-31-30-39-17-9-18-47(51(39)52(50)61-56)45-28-24-38-16-8-19-48(49(38)34-45)55-59-53(58-54(60-55)46-29-23-36-11-5-7-15-43(36)33-46)40-25-20-37(21-26-40)44-27-22-35-10-4-6-14-42(35)32-44/h1-34H.

What are the key properties of 9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole?

9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole has a molecular weight of 778.92 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole is sourced from PubChem (CID 176764556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).