2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole

C88H70N8O4S2 — CID 101402638

About 2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole

2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (PubChem CID 101402638) has the molecular formula C88H70N8O4S2 and a molecular weight of 1367.71 g/mol. Its IUPAC name is 2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
• PubChem CID: 101402638
• Molecular Formula: C88H70N8O4S2
• Molecular Weight: 1367.71 g/mol
• Exact Mass: 1366.50
• IUPAC Name: 2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3ccc(C#Cc4cc(C#Cc5ccc(-c6nnc(-c7ccc(C(C)(C)C)cc7)o6)cc5)c(-c5sc(C#Cc6ccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)cc6)cc5C#Cc5ccc(-c6nnc(-c7ccc(C(C)(C)C)cc7)o6)cc5)s4)cc3)o2)cc1
• InChI: InChI=1S/C88H70N8O4S2/c1-85(2,3)69-43-35-63(36-44-69)81-93-89-77(97-81)59-25-13-55(14-26-59)21-33-67-53-73(51-23-57-17-29-61(30-18-57)79-91-95-83(99-79)65-39-47-71(48-40-65)87(7,8)9)101-75(67)76-68(34-22-56-15-27-60(28-16-56)78-90-94-82(98-78)64-37-45-70(46-38-64)86(4,5)6)54-74(102-76)52-24-58-19-31-62(32-20-58)80-92-96-84(100-80)66-41-49-72(50-42-66)88(10,11)12/h13-20,25-32,35-50,53-54H,1-12H3
• InChIKey: BIHYNVOEDLUKTM-UHFFFAOYSA-N
• XLogP: 21.13
• TPSA: 155.68 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1367.71
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole?

The IUPAC name of 2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (CID 101402638) is 2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole.

What is the SMILES notation for 2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole?

The canonical SMILES for 2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnc(-c3ccc(C#Cc4cc(C#Cc5ccc(-c6nnc(-c7ccc(C(C)(C)C)cc7)o6)cc5)c(-c5sc(C#Cc6ccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)cc6)cc5C#Cc5ccc(-c6nnc(-c7ccc(C(C)(C)C)cc7)o6)cc5)s4)cc3)o2)cc1.

What is the InChIKey of 2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole?

The InChIKey is BIHYNVOEDLUKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H70N8O4S2/c1-85(2,3)69-43-35-63(36-44-69)81-93-89-77(97-81)59-25-13-55(14-26-59)21-33-67-53-73(51-23-57-17-29-61(30-18-57)79-91-95-83(99-79)65-39-47-71(48-40-65)87(7,8)9)101-75(67)76-68(34-22-56-15-27-60(28-16-56)78-90-94-82(98-78)64-37-45-70(46-38-64)86(4,5)6)54-74(102-76)52-24-58-19-31-62(32-20-58)80-92-96-84(100-80)66-41-49-72(50-42-66)88(10,11)12/h13-20,25-32,35-50,53-54H,1-12H3.

What are the key properties of 2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole?

2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole has a molecular weight of 1367.71 g/mol, XLogP of 21.13, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[2-[3,5-bis[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-2-yl]-5-[2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethynyl]thiophen-3-yl]ethynyl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 101402638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).