5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole

C48H32N8O — CID 163614175

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole (PubChem CID 163614175) has the molecular formula C48H32N8O and a molecular weight of 736.84 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole
• PubChem CID: 163614175
• Molecular Formula: C48H32N8O
• Molecular Weight: 736.84 g/mol
• Exact Mass: 736.27
• IUPAC Name: 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4=NNC(c5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)c5)O4)cc3)n2)cc1
• InChI: InChI=1S/C48H32N8O/c1-4-15-32(16-5-1)41-49-42(33-17-6-2-7-18-33)51-44(50-41)35-26-28-36(29-27-35)47-55-56-48(57-47)38-23-12-22-37(30-38)45-52-43(34-19-8-3-9-20-34)53-46(54-45)40-25-13-21-31-14-10-11-24-39(31)40/h1-30,48,56H
• InChIKey: HINWSQUOWYLGEZ-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 110.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.84
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole?

The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole (CID 163614175) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole.

What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole?

The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4=NNC(c5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)c5)O4)cc3)n2)cc1.

What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole?

The InChIKey is HINWSQUOWYLGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N8O/c1-4-15-32(16-5-1)41-49-42(33-17-6-2-7-18-33)51-44(50-41)35-26-28-36(29-27-35)47-55-56-48(57-47)38-23-12-22-37(30-38)45-52-43(34-19-8-3-9-20-34)53-46(54-45)40-25-13-21-31-14-10-11-24-39(31)40/h1-30,48,56H.

What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole?

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole has a molecular weight of 736.84 g/mol, XLogP of 10.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole is sourced from PubChem (CID 163614175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).