2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole

C40H28N4O2 — CID 71175422

About 2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole

2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 71175422) has the molecular formula C40H28N4O2 and a molecular weight of 596.69 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole
• PubChem CID: 71175422
• Molecular Formula: C40H28N4O2
• Molecular Weight: 596.69 g/mol
• Exact Mass: 596.22
• IUPAC Name: 2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole
• SMILES: C1=C(c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)CCC(c2nnc(-c3ccc(-c4ccccc4)cc3)o2)=C1
• InChI: InChI=1S/C40H28N4O2/c1-3-7-27(8-4-1)29-11-19-33(20-12-29)37-41-43-39(45-37)35-23-15-31(16-24-35)32-17-25-36(26-18-32)40-44-42-38(46-40)34-21-13-30(14-22-34)28-9-5-2-6-10-28/h1-17,19-25H,18,26H2
• InChIKey: NVGYWKZXSLAKDL-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.69
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole (CID 71175422) is 2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole is C1=C(c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)CCC(c2nnc(-c3ccc(-c4ccccc4)cc3)o2)=C1.

What is the InChIKey of 2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole?

The InChIKey is NVGYWKZXSLAKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4O2/c1-3-7-27(8-4-1)29-11-19-33(20-12-29)37-41-43-39(45-37)35-23-15-31(16-24-35)32-17-25-36(26-18-32)40-44-42-38(46-40)34-21-13-30(14-22-34)28-9-5-2-6-10-28/h1-17,19-25H,18,26H2.

What are the key properties of 2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole?

2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 596.69 g/mol, XLogP of 10.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71175422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).