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

C67H44N2O — CID 135166750

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

N-(3-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine (PubChem CID 135166750) has the molecular formula C67H44N2O and a molecular weight of 893.10 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-(3-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
• PubChem CID: 135166750
• Molecular Formula: C67H44N2O
• Molecular Weight: 893.10 g/mol
• Exact Mass: 892.35
• IUPAC Name: N-(3-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
• SMILES: c1ccc(-c2cccc(-c3ccccc3N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1
• InChI: InChI=1S/C67H44N2O/c1-3-20-45(21-4-1)46-22-17-24-49(42-46)52-28-8-13-35-60(52)69(51-27-18-23-47(43-51)48-40-41-65-55(44-48)53-29-9-16-39-64(53)70-65)63-38-19-34-59-66(63)54-30-7-10-31-56(54)67(59)57-32-11-14-36-61(57)68(50-25-5-2-6-26-50)62-37-15-12-33-58(62)67/h1-44H
• InChIKey: FEJYVPMCYWBXHH-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-(3-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?

The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine (CID 135166750) is N-(3-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine.

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

The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine is c1ccc(-c2cccc(-c3ccccc3N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1.

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

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

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

N-(3-dibenzofuran-2-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-(3-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 135166750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).