2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole

C64H41N3O — CID 59228416

About 2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 59228416) has the molecular formula C64H41N3O and a molecular weight of 868.05 g/mol. Its IUPAC name is 2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
• PubChem CID: 59228416
• Molecular Formula: C64H41N3O
• Molecular Weight: 868.05 g/mol
• Exact Mass: 867.32
• IUPAC Name: 2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
• SMILES: c1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccc(-c7ccc8ccccc8c7)cc6c6cc(-c7ccc8ccccc8c7)ccc65)cc4)cc3)o2)cc1
• InChI: InChI=1S/C64H41N3O/c1-2-14-46(15-3-1)63-65-66-64(68-63)47-26-24-44(25-27-47)55-18-8-10-20-57(55)58-21-11-9-19-56(58)45-30-34-54(35-31-45)67-61-36-32-52(50-28-22-42-12-4-6-16-48(42)38-50)40-59(61)60-41-53(33-37-62(60)67)51-29-23-43-13-5-7-17-49(43)39-51/h1-41H
• InChIKey: GJRZHARHTQBZFX-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.05
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?

The IUPAC name of 2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 59228416) is 2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?

The canonical SMILES for 2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccc(-c7ccc8ccccc8c7)cc6c6cc(-c7ccc8ccccc8c7)ccc65)cc4)cc3)o2)cc1.

What is the InChIKey of 2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?

The InChIKey is GJRZHARHTQBZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3O/c1-2-14-46(15-3-1)63-65-66-64(68-63)47-26-24-44(25-27-47)55-18-8-10-20-57(55)58-21-11-9-19-56(58)45-30-34-54(35-31-45)67-61-36-32-52(50-28-22-42-12-4-6-16-48(42)38-50)40-59(61)60-41-53(33-37-62(60)67)51-29-23-43-13-5-7-17-49(43)39-51/h1-41H.

What are the key properties of 2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?

2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 868.05 g/mol, XLogP of 17.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 59228416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).