N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine

C51H32N2O2 — CID 177112985

About N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine

N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 177112985) has the molecular formula C51H32N2O2 and a molecular weight of 704.83 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
• PubChem CID: 177112985
• Molecular Formula: C51H32N2O2
• Molecular Weight: 704.83 g/mol
• Exact Mass: 704.25
• IUPAC Name: N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c(-c5ccccc5)cc5ccc6nc(-c7ccccc7)oc6c5c4c3)c3cccc4c3oc3ccccc34)cc2)cc1
• InChI: InChI=1S/C51H32N2O2/c1-4-13-33(14-5-1)34-23-26-38(27-24-34)53(46-21-12-20-42-41-19-10-11-22-47(41)54-49(42)46)39-28-29-40-43(35-15-6-2-7-16-35)31-37-25-30-45-50(48(37)44(40)32-39)55-51(52-45)36-17-8-3-9-18-36/h1-32H
• InChIKey: VIQJCQWFTGWLRB-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 42.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.83
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine?

The IUPAC name of N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine (CID 177112985) is N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine?

The canonical SMILES for N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2ccc(N(c3ccc4c(-c5ccccc5)cc5ccc6nc(-c7ccccc7)oc6c5c4c3)c3cccc4c3oc3ccccc34)cc2)cc1.

What is the InChIKey of N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine?

The InChIKey is VIQJCQWFTGWLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2/c1-4-13-33(14-5-1)34-23-26-38(27-24-34)53(46-21-12-20-42-41-19-10-11-22-47(41)54-49(42)46)39-28-29-40-43(35-15-6-2-7-16-35)31-37-25-30-45-50(48(37)44(40)32-39)55-51(52-45)36-17-8-3-9-18-36/h1-32H.

What are the key properties of N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine?

N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 704.83 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 177112985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).