N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine

C67H44N2O — CID 135166740

About N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine

N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine (PubChem CID 135166740) has the molecular formula C67H44N2O and a molecular weight of 893.10 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
• PubChem CID: 135166740
• Molecular Formula: C67H44N2O
• Molecular Weight: 893.10 g/mol
• Exact Mass: 892.35
• IUPAC Name: N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
• SMILES: c1ccc(-c2cccc(-c3ccccc3N(c3ccccc3-c3cccc4c3oc3ccccc34)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1
• InChI: InChI=1S/C67H44N2O/c1-3-22-45(23-4-1)46-24-19-25-47(44-46)49-28-8-14-38-59(49)69(60-39-15-9-29-50(60)52-32-20-33-53-51-30-10-18-43-64(51)70-66(52)53)63-42-21-37-58-65(63)54-31-7-11-34-55(54)67(58)56-35-12-16-40-61(56)68(48-26-5-2-6-27-48)62-41-17-13-36-57(62)67/h1-44H
• InChIKey: PLWCGOJHBJAWIV-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.10
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?

The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine (CID 135166740) is N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine.

What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?

The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine is c1ccc(-c2cccc(-c3ccccc3N(c3ccccc3-c3cccc4c3oc3ccccc34)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1.

What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?

The InChIKey is PLWCGOJHBJAWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2O/c1-3-22-45(23-4-1)46-24-19-25-47(44-46)49-28-8-14-38-59(49)69(60-39-15-9-29-50(60)52-32-20-33-53-51-30-10-18-43-64(51)70-66(52)53)63-42-21-37-58-65(63)54-31-7-11-34-55(54)67(58)56-35-12-16-40-61(56)68(48-26-5-2-6-27-48)62-41-17-13-36-57(62)67/h1-44H.

What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?

N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine has a molecular weight of 893.10 g/mol, XLogP of 18.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 135166740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).