1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole

C46H28N4O2 — CID 59999896

About 1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole

1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole (PubChem CID 59999896) has the molecular formula C46H28N4O2 and a molecular weight of 668.76 g/mol. Its IUPAC name is 1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

• Compound Name: 1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole
• PubChem CID: 59999896
• Molecular Formula: C46H28N4O2
• Molecular Weight: 668.76 g/mol
• Exact Mass: 668.22
• IUPAC Name: 1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole
• SMILES: c1ccc(-c2nc3oc4ccccc4n3c2-c2ccc(-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5oc6ccccc6n45)cc3)cc2)cc1
• InChI: InChI=1S/C46H28N4O2/c1-2-11-32(12-3-1)41-43(49-37-14-6-8-16-39(37)51-45(49)47-41)33-23-18-30(19-24-33)31-20-25-34(26-21-31)44-42(36-27-22-29-10-4-5-13-35(29)28-36)48-46-50(44)38-15-7-9-17-40(38)52-46/h1-28H
• InChIKey: GAMCUMBPAGMPHY-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 60.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.76
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole?

The IUPAC name of 1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole (CID 59999896) is 1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole.

What is the SMILES notation for 1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole?

The canonical SMILES for 1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole is c1ccc(-c2nc3oc4ccccc4n3c2-c2ccc(-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5oc6ccccc6n45)cc3)cc2)cc1.

What is the InChIKey of 1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole?

The InChIKey is GAMCUMBPAGMPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O2/c1-2-11-32(12-3-1)41-43(49-37-14-6-8-16-39(37)51-45(49)47-41)33-23-18-30(19-24-33)31-20-25-34(26-21-31)44-42(36-27-22-29-10-4-5-13-35(29)28-36)48-46-50(44)38-15-7-9-17-40(38)52-46/h1-28H.

What are the key properties of 1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole?

1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole has a molecular weight of 668.76 g/mol, XLogP of 11.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]-2-phenylimidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 59999896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).