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

C44H26N4O2 — CID 59999924

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

2-naphthalen-2-yl-1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]imidazo[2,1-b][1,3]benzoxazole (PubChem CID 59999924) has the molecular formula C44H26N4O2 and a molecular weight of 642.72 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]imidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]imidazo[2,1-b][1,3]benzoxazole
• PubChem CID: 59999924
• Molecular Formula: C44H26N4O2
• Molecular Weight: 642.72 g/mol
• Exact Mass: 642.21
• IUPAC Name: 2-naphthalen-2-yl-1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]imidazo[2,1-b][1,3]benzoxazole
• SMILES: c1ccc2cc(-c3nc4oc5ccccc5n4c3-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5oc6ccccc6n45)cc3)ccc2c1
• InChI: InChI=1S/C44H26N4O2/c1-3-11-31-25-33(23-17-27(31)9-1)39-41(47-35-13-5-7-15-37(35)49-43(47)45-39)29-19-21-30(22-20-29)42-40(34-24-18-28-10-2-4-12-32(28)26-34)46-44-48(42)36-14-6-8-16-38(36)50-44/h1-26H
• InChIKey: MIOMFQPSQMRZAR-UHFFFAOYSA-N
• XLogP: 11.45
• TPSA: 60.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.72
LogP ≤ 5	11.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-naphthalen-2-yl-1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]imidazo[2,1-b][1,3]benzoxazole (CID 59999924) is 2-naphthalen-2-yl-1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]imidazo[2,1-b][1,3]benzoxazole.

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

The canonical SMILES for 2-naphthalen-2-yl-1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]imidazo[2,1-b][1,3]benzoxazole is c1ccc2cc(-c3nc4oc5ccccc5n4c3-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5oc6ccccc6n45)cc3)ccc2c1.

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

The InChIKey is MIOMFQPSQMRZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O2/c1-3-11-31-25-33(23-17-27(31)9-1)39-41(47-35-13-5-7-15-37(35)49-43(47)45-39)29-19-21-30(22-20-29)42-40(34-24-18-28-10-2-4-12-32(28)26-34)46-44-48(42)36-14-6-8-16-38(36)50-44/h1-26H.

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

2-naphthalen-2-yl-1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]imidazo[2,1-b][1,3]benzoxazole has a molecular weight of 642.72 g/mol, XLogP of 11.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-1-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]imidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 59999924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).