2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

C₃₅H₂₅N₃O₂ — CID 154623001

About 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (PubChem CID 154623001) has the molecular formula C₃₅H₂₅N₃O₂ and a molecular weight of 519.60 g/mol. Its IUPAC name is 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

• Compound Name: 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
• PubChem CID: 154623001
• Molecular Formula: C₃₅H₂₅N₃O₂
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.19
• IUPAC Name: 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
• SMILES: CCC1c2ccccc2N(c2ccc(-c3nc4cc5oc(-c6ccccc6)nc5cc4o3)cc2)c2ccccc21
• InChI: InChI=1S/C35H25N3O2/c1-2-25-26-12-6-8-14-30(26)38(31-15-9-7-13-27(25)31)24-18-16-23(17-19-24)35-37-29-21-32-28(20-33(29)40-35)36-34(39-32)22-10-4-3-5-11-22/h3-21,25H,2H2,1H3
• InChIKey: WJOXOTDGHLSWEZ-UHFFFAOYSA-N
• XLogP: 9.63
• TPSA: 55.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?

The IUPAC name of 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (CID 154623001) is 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.

What is the SMILES notation for 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?

The canonical SMILES for 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is CCC1c2ccccc2N(c2ccc(-c3nc4cc5oc(-c6ccccc6)nc5cc4o3)cc2)c2ccccc21.

What is the InChIKey of 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?

The InChIKey is WJOXOTDGHLSWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3O2/c1-2-25-26-12-6-8-14-30(26)38(31-15-9-7-13-27(25)31)24-18-16-23(17-19-24)35-37-29-21-32-28(20-33(29)40-35)36-34(39-32)22-10-4-3-5-11-22/h3-21,25H,2H2,1H3.

What are the key properties of 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?

2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole has a molecular weight of 519.60 g/mol, XLogP of 9.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 154623001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154623001 — identifiers, structure, computed properties (public domain)

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