[4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol

C59H53N5O3 — CID 101084500

About [4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol

[4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol (PubChem CID 101084500) has the molecular formula C59H53N5O3 and a molecular weight of 880.11 g/mol. Its IUPAC name is [4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol.

Molecular Properties

• Compound Name: [4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol
• PubChem CID: 101084500
• Molecular Formula: C59H53N5O3
• Molecular Weight: 880.11 g/mol
• Exact Mass: 879.41
• IUPAC Name: [4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3ccc(/C=C/c4ccc(N(c5ccc(/C=C/c6ccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)cc6)cc5)c5ccc(CO)cc5)cc4)cc3)o2)cc1
• InChI: InChI=1S/C59H53N5O3/c1-58(2,3)49-29-25-47(26-30-49)56-62-60-54(66-56)45-21-11-40(12-22-45)7-9-42-15-33-51(34-16-42)64(53-37-19-44(39-65)20-38-53)52-35-17-43(18-36-52)10-8-41-13-23-46(24-14-41)55-61-63-57(67-55)48-27-31-50(32-28-48)59(4,5)6/h7-38,65H,39H2,1-6H3/b9-7+,10-8+
• InChIKey: DMDRBJGVGCRZRY-FIFLTTCUSA-N
• XLogP: 15.02
• TPSA: 101.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.11
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol (CID 101084500) is [4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol.

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

The canonical SMILES for [4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol is CC(C)(C)c1ccc(-c2nnc(-c3ccc(/C=C/c4ccc(N(c5ccc(/C=C/c6ccc(-c7nnc(-c8ccc(C(C)(C)C)cc8)o7)cc6)cc5)c5ccc(CO)cc5)cc4)cc3)o2)cc1.

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

The InChIKey is DMDRBJGVGCRZRY-FIFLTTCUSA-N. The full InChI is InChI=1S/C59H53N5O3/c1-58(2,3)49-29-25-47(26-30-49)56-62-60-54(66-56)45-21-11-40(12-22-45)7-9-42-15-33-51(34-16-42)64(53-37-19-44(39-65)20-38-53)52-35-17-43(18-36-52)10-8-41-13-23-46(24-14-41)55-61-63-57(67-55)48-27-31-50(32-28-48)59(4,5)6/h7-38,65H,39H2,1-6H3/b9-7+,10-8+.

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

[4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol has a molecular weight of 880.11 g/mol, XLogP of 15.02, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol is sourced from PubChem (CID 101084500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).