2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole

C30H29IN4O2 — CID 11767205

About 2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole

2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole (PubChem CID 11767205) has the molecular formula C30H29IN4O2 and a molecular weight of 604.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole
• PubChem CID: 11767205
• Molecular Formula: C30H29IN4O2
• Molecular Weight: 604.49 g/mol
• Exact Mass: 604.13
• IUPAC Name: 2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3cc(I)cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1
• InChI: InChI=1S/C30H29IN4O2/c1-29(2,3)22-11-7-18(8-12-22)25-32-34-27(36-25)20-15-21(17-24(31)16-20)28-35-33-26(37-28)19-9-13-23(14-10-19)30(4,5)6/h7-17H,1-6H3
• InChIKey: KSLZOYNAJRSXRU-UHFFFAOYSA-N
• XLogP: 8.32
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.49
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole (CID 11767205) is 2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole.

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

The canonical SMILES for 2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnc(-c3cc(I)cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1.

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

The InChIKey is KSLZOYNAJRSXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29IN4O2/c1-29(2,3)22-11-7-18(8-12-22)25-32-34-27(36-25)20-15-21(17-24(31)16-20)28-35-33-26(37-28)19-9-13-23(14-10-19)30(4,5)6/h7-17H,1-6H3.

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

2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole has a molecular weight of 604.49 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 11767205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).