2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole

C128H96N20O6+6 — CID 157219177

About 2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole

2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 157219177) has the molecular formula C128H96N20O6+6 and a molecular weight of 2010.31 g/mol. Its IUPAC name is 2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole
• PubChem CID: 157219177
• Molecular Formula: C128H96N20O6+6
• Molecular Weight: 2010.31 g/mol
• Exact Mass: 2008.78
• IUPAC Name: 2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole
• SMILES: C[n+]1ccc(-c2cc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)ccc2-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2-c2cc[n+](C)cc2)cc1.C[n+]1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccc(-c6nnc(-c7ccc(-c8cc[n+](C)cc8)cc7)o6)cc5)cc4)o3)cc2)cc1.C[n+]1ccn(-c2ccc(-c3nnc(-c4ccc(-c5ccc(-c6nnc(-c7ccc(-n8cc[n+](C)c8)cc7)o6)cc5)cc4)o3)cc2)c1
• InChI: InChI=1S/C52H38N6O2.C40H30N6O2.C36H28N8O2/c1-57-29-25-39(26-30-57)47-33-43(51-55-53-49(59-51)41-17-13-37(14-18-41)35-9-5-3-6-10-35)21-23-45(47)46-24-22-44(34-48(46)40-27-31-58(2)32-28-40)52-56-54-50(60-52)42-19-15-38(16-20-42)36-11-7-4-8-12-36;1-45-23-19-31(20-24-45)29-7-15-35(16-8-29)39-43-41-37(47-39)33-11-3-27(4-12-33)28-5-13-34(14-6-28)38-42-44-40(48-38)36-17-9-30(10-18-36)32-21-25-46(2)26-22-32;1-41-19-21-43(23-41)31-15-11-29(12-16-31)35-39-37-33(45-35)27-7-3-25(4-8-27)26-5-9-28(10-6-26)34-38-40-36(46-34)30-13-17-32(18-14-30)44-22-20-42(2)24-44/h3-34H,1-2H3;3-26H,1-2H3;3-24H,1-2H3/q3*+2
• InChIKey: WEZYLIJHMSYHQC-UHFFFAOYSA-N
• XLogP: 24.89
• TPSA: 266.66 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2010.31
LogP ≤ 5	24.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole (CID 157219177) is 2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole is C[n+]1ccc(-c2cc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)ccc2-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2-c2cc[n+](C)cc2)cc1.C[n+]1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccc(-c6nnc(-c7ccc(-c8cc[n+](C)cc8)cc7)o6)cc5)cc4)o3)cc2)cc1.C[n+]1ccn(-c2ccc(-c3nnc(-c4ccc(-c5ccc(-c6nnc(-c7ccc(-n8cc[n+](C)c8)cc7)o6)cc5)cc4)o3)cc2)c1.

What is the InChIKey of 2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole?

The InChIKey is WEZYLIJHMSYHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N6O2.C40H30N6O2.C36H28N8O2/c1-57-29-25-39(26-30-57)47-33-43(51-55-53-49(59-51)41-17-13-37(14-18-41)35-9-5-3-6-10-35)21-23-45(47)46-24-22-44(34-48(46)40-27-31-58(2)32-28-40)52-56-54-50(60-52)42-19-15-38(16-20-42)36-11-7-4-8-12-36;1-45-23-19-31(20-24-45)29-7-15-35(16-8-29)39-43-41-37(47-39)33-11-3-27(4-12-33)28-5-13-34(14-6-28)38-42-44-40(48-38)36-17-9-30(10-18-36)32-21-25-46(2)26-22-32;1-41-19-21-43(23-41)31-15-11-29(12-16-31)35-39-37-33(45-35)27-7-3-25(4-8-27)26-5-9-28(10-6-26)34-38-40-36(46-34)30-13-17-32(18-14-30)44-22-20-42(2)24-44/h3-34H,1-2H3;3-26H,1-2H3;3-24H,1-2H3/q3*+2.

What are the key properties of 2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole?

2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 2010.31 g/mol, XLogP of 24.89, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-5-[4-[4-[5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-[3-(1-methylpyridin-1-ium-4-yl)-4-[2-(1-methylpyridin-1-ium-4-yl)-4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-5-[4-[4-[5-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 157219177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).