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

C50H30N4O2 — CID 59999915

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

2-naphthalen-2-yl-1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole (PubChem CID 59999915) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole
• PubChem CID: 59999915
• Molecular Formula: C50H30N4O2
• Molecular Weight: 718.82 g/mol
• Exact Mass: 718.24
• IUPAC Name: 2-naphthalen-2-yl-1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole
• SMILES: c1ccc2cc(-c3nc4oc5ccccc5n4c3-c3ccc(-c4ccc(-c5c(-c6ccc7ccccc7c6)nc6oc7ccccc7n56)cc4)cc3)ccc2c1
• InChI: InChI=1S/C50H30N4O2/c1-3-11-37-29-39(27-21-31(37)9-1)45-47(53-41-13-5-7-15-43(41)55-49(53)51-45)35-23-17-33(18-24-35)34-19-25-36(26-20-34)48-46(40-28-22-32-10-2-4-12-38(32)30-40)52-50-54(48)42-14-6-8-16-44(42)56-50/h1-30H
• InChIKey: ULSRPBKFNGKFLO-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 60.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.82
LogP ≤ 5	13.12
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-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole?

The IUPAC name of 2-naphthalen-2-yl-1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole (CID 59999915) is 2-naphthalen-2-yl-1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole.

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

The canonical SMILES for 2-naphthalen-2-yl-1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole is c1ccc2cc(-c3nc4oc5ccccc5n4c3-c3ccc(-c4ccc(-c5c(-c6ccc7ccccc7c6)nc6oc7ccccc7n56)cc4)cc3)ccc2c1.

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

The InChIKey is ULSRPBKFNGKFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-3-11-37-29-39(27-21-31(37)9-1)45-47(53-41-13-5-7-15-43(41)55-49(53)51-45)35-23-17-33(18-24-35)34-19-25-36(26-20-34)48-46(40-28-22-32-10-2-4-12-38(32)30-40)52-50-54(48)42-14-6-8-16-44(42)56-50/h1-30H.

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

2-naphthalen-2-yl-1-[4-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole has a molecular weight of 718.82 g/mol, XLogP of 13.12, 5 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-[4-(2-naphthalen-2-ylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 59999915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).