N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C₅₀H₃₁NO₂ — CID 171738128

About N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738128) has the molecular formula C₅₀H₃₁NO₂ and a molecular weight of 677.80 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 171738128
• Molecular Formula: C₅₀H₃₁NO₂
• Molecular Weight: 677.80 g/mol
• Exact Mass: 677.24
• IUPAC Name: N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
• SMILES: c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3oc4c5ccccc5ccc4c23)c1
• InChI: InChI=1S/C50H31NO2/c1-3-15-39-33(10-1)12-8-18-40(39)36-13-7-14-38(30-36)51(45-19-9-21-47-49(45)44-29-24-34-11-2-4-16-41(34)50(44)53-47)37-26-22-32(23-27-37)35-25-28-43-42-17-5-6-20-46(42)52-48(43)31-35/h1-31H
• InChIKey: DBAPRQLAYSPATN-UHFFFAOYSA-N
• XLogP: 14.60
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.80
LogP ≤ 5	14.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?

The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171738128) is N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?

The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3oc4c5ccccc5ccc4c23)c1.

What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?

The InChIKey is DBAPRQLAYSPATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-3-15-39-33(10-1)12-8-18-40(39)36-13-7-14-38(30-36)51(45-19-9-21-47-49(45)44-29-24-34-11-2-4-16-41(34)50(44)53-47)37-26-22-32(23-27-37)35-25-28-43-42-17-5-6-20-46(42)52-48(43)31-35/h1-31H.

What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?

N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 677.80 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171738128 — identifiers, structure, computed properties (public domain)

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