4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline

C54H47N5O2 — CID 132556945

About 4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline

4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline (PubChem CID 132556945) has the molecular formula C54H47N5O2 and a molecular weight of 798.00 g/mol. Its IUPAC name is 4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline.

Molecular Properties

• Compound Name: 4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline
• PubChem CID: 132556945
• Molecular Formula: C54H47N5O2
• Molecular Weight: 798.00 g/mol
• Exact Mass: 797.37
• IUPAC Name: 4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)c6)cc5)cc4)c3)o2)cc1
• InChI: InChI=1S/C54H47N5O2/c1-53(2,3)44-26-18-38(19-27-44)49-55-57-51(60-49)42-14-10-12-40(34-42)36-22-30-47(31-23-36)59(46-16-8-7-9-17-46)48-32-24-37(25-33-48)41-13-11-15-43(35-41)52-58-56-50(61-52)39-20-28-45(29-21-39)54(4,5)6/h7-35H,1-6H3
• InChIKey: NVTINXSQXRIPHD-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 81.08 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.00
LogP ≤ 5	14.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline (CID 132556945) is 4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline.

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

The canonical SMILES for 4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline is CC(C)(C)c1ccc(-c2nnc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)c6)cc5)cc4)c3)o2)cc1.

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

The InChIKey is NVTINXSQXRIPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47N5O2/c1-53(2,3)44-26-18-38(19-27-44)49-55-57-51(60-49)42-14-10-12-40(34-42)36-22-30-47(31-23-36)59(46-16-8-7-9-17-46)48-32-24-37(25-33-48)41-13-11-15-43(35-41)52-58-56-50(61-52)39-20-28-45(29-21-39)54(4,5)6/h7-35H,1-6H3.

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

4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline has a molecular weight of 798.00 g/mol, XLogP of 14.52, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 132556945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).