9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine

C45H28N2O2 — CID 177081862

About 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine

9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine (PubChem CID 177081862) has the molecular formula C45H28N2O2 and a molecular weight of 628.73 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

• Compound Name: 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
• PubChem CID: 177081862
• Molecular Formula: C45H28N2O2
• Molecular Weight: 628.73 g/mol
• Exact Mass: 628.22
• IUPAC Name: 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
• SMILES: c1cc(-c2ccc3ccccc3c2)cc(N(c2cccc3ccccc23)c2cccc3c2oc2cccc(-c4nc5ccccc5o4)c23)c1
• InChI: InChI=1S/C45H28N2O2/c1-2-13-31-27-33(26-25-29(31)11-1)32-15-7-16-34(28-32)47(39-21-8-14-30-12-3-4-17-35(30)39)40-22-9-18-36-43-37(19-10-24-42(43)48-44(36)40)45-46-38-20-5-6-23-41(38)49-45/h1-28H
• InChIKey: QBFPINRZOKYEEZ-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 42.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.73
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine?

The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine (CID 177081862) is 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine.

What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine?

The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine is c1cc(-c2ccc3ccccc3c2)cc(N(c2cccc3ccccc23)c2cccc3c2oc2cccc(-c4nc5ccccc5o4)c23)c1.

What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine?

The InChIKey is QBFPINRZOKYEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O2/c1-2-13-31-27-33(26-25-29(31)11-1)32-15-7-16-34(28-32)47(39-21-8-14-30-12-3-4-17-35(30)39)40-22-9-18-36-43-37(19-10-24-42(43)48-44(36)40)45-46-38-20-5-6-23-41(38)49-45/h1-28H.

What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine?

9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine has a molecular weight of 628.73 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 177081862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).