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

C49H30N2O2 — CID 177112672

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

N-dibenzofuran-3-yl-N-naphthalen-1-yl-2,7-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 177112672) has the molecular formula C49H30N2O2 and a molecular weight of 678.79 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-naphthalen-1-yl-2,7-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-N-naphthalen-1-yl-2,7-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
• PubChem CID: 177112672
• Molecular Formula: C49H30N2O2
• Molecular Weight: 678.79 g/mol
• Exact Mass: 678.23
• IUPAC Name: N-dibenzofuran-3-yl-N-naphthalen-1-yl-2,7-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
• SMILES: c1ccc(-c2nc3ccc4cc(-c5ccccc5)c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)cc5c4c3o2)cc1
• InChI: InChI=1S/C49H30N2O2/c1-3-12-32(13-4-1)41-28-34-22-27-43-48(53-49(50-43)33-15-5-2-6-16-33)47(34)42-29-35(23-25-38(41)42)51(44-20-11-17-31-14-7-8-18-37(31)44)36-24-26-40-39-19-9-10-21-45(39)52-46(40)30-36/h1-30H
• InChIKey: UNYBQTHGOZJEMZ-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

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

The IUPAC name of N-dibenzofuran-3-yl-N-naphthalen-1-yl-2,7-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine (CID 177112672) is N-dibenzofuran-3-yl-N-naphthalen-1-yl-2,7-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine.

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

The canonical SMILES for N-dibenzofuran-3-yl-N-naphthalen-1-yl-2,7-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2nc3ccc4cc(-c5ccccc5)c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)cc5c4c3o2)cc1.

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

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

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

N-dibenzofuran-3-yl-N-naphthalen-1-yl-2,7-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-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 N-dibenzofuran-3-yl-N-naphthalen-1-yl-2,7-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 177112672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).