9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine

C49H30N2O2 — CID 177082281

About 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine

9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 177082281) has the molecular formula C49H30N2O2 and a molecular weight of 678.79 g/mol. Its IUPAC name is 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

• Compound Name: 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
• PubChem CID: 177082281
• Molecular Formula: C49H30N2O2
• Molecular Weight: 678.79 g/mol
• Exact Mass: 678.23
• IUPAC Name: 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
• SMILES: c1cc(-c2cccc3ccccc23)cc(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2cccc(-c4nc5cc6ccccc6cc5o4)c23)c1
• InChI: InChI=1S/C49H30N2O2/c1-2-12-33-26-38(23-22-31(33)10-1)51(37-17-7-16-36(27-37)41-19-8-15-32-11-5-6-18-40(32)41)39-24-25-42-46(30-39)52-45-21-9-20-43(48(42)45)49-50-44-28-34-13-3-4-14-35(34)29-47(44)53-49/h1-30H
• InChIKey: GIMUTDSIZKZTSZ-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 42.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.79
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine (CID 177082281) is 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

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

The canonical SMILES for 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine is c1cc(-c2cccc3ccccc23)cc(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2cccc(-c4nc5cc6ccccc6cc5o4)c23)c1.

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

The InChIKey is GIMUTDSIZKZTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O2/c1-2-12-33-26-38(23-22-31(33)10-1)51(37-17-7-16-36(27-37)41-19-8-15-32-11-5-6-18-40(32)41)39-24-25-42-46(30-39)52-45-21-9-20-43(48(42)45)49-50-44-28-34-13-3-4-14-35(34)29-47(44)53-49/h1-30H.

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

9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine has a molecular weight of 678.79 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 177082281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).