N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine

C45H28N2O2 — CID 177112795

About N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine

N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 177112795) has the molecular formula C45H28N2O2 and a molecular weight of 628.73 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
• PubChem CID: 177112795
• Molecular Formula: C45H28N2O2
• Molecular Weight: 628.73 g/mol
• Exact Mass: 628.22
• IUPAC Name: N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
• SMILES: c1ccc(-c2nc3ccc4cc(-c5ccccc5)c5ccc(N(c6ccccc6)c6cccc7oc8ccccc8c67)cc5c4c3o2)cc1
• InChI: InChI=1S/C45H28N2O2/c1-4-13-29(14-5-1)36-27-31-23-26-38-44(49-45(46-38)30-15-6-2-7-16-30)42(31)37-28-33(24-25-34(36)37)47(32-17-8-3-9-18-32)39-20-12-22-41-43(39)35-19-10-11-21-40(35)48-41/h1-28H
• InChIKey: ITFKBOKMSKFZQA-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

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-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?

The IUPAC name of N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine (CID 177112795) is N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine.

What is the SMILES notation for N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?

The canonical SMILES for N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2nc3ccc4cc(-c5ccccc5)c5ccc(N(c6ccccc6)c6cccc7oc8ccccc8c67)cc5c4c3o2)cc1.

What is the InChIKey of N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?

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

What are the key properties of N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?

N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-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 N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 177112795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).