N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

C₄₀H₂₇NO — CID 177069406

About N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069406) has the molecular formula C₄₀H₂₇NO and a molecular weight of 537.66 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
• PubChem CID: 177069406
• Molecular Formula: C₄₀H₂₇NO
• Molecular Weight: 537.66 g/mol
• Exact Mass: 537.21
• IUPAC Name: N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5oc6ccccc6c45)cc3)cc2)cc1
• InChI: InChI=1S/C40H27NO/c1-2-9-28(10-3-1)30-17-19-31(20-18-30)32-21-24-34(25-22-32)41(35-26-23-29-11-4-5-12-33(29)27-35)37-14-8-16-39-40(37)36-13-6-7-15-38(36)42-39/h1-27H
• InChIKey: FKHIOMAQBGIYLC-UHFFFAOYSA-N
• XLogP: 11.54
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.66
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?

The IUPAC name of N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069406) is N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

What is the SMILES notation for N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?

The canonical SMILES for N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5oc6ccccc6c45)cc3)cc2)cc1.

What is the InChIKey of N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?

The InChIKey is FKHIOMAQBGIYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-2-9-28(10-3-1)30-17-19-31(20-18-30)32-21-24-34(25-22-32)41(35-26-23-29-11-4-5-12-33(29)27-35)37-14-8-16-39-40(37)36-13-6-7-15-38(36)42-39/h1-27H.

What are the key properties of N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?

N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 537.66 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177069406 — identifiers, structure, computed properties (public domain)

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