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

C67H44N2O — CID 135166630

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

N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 135166630) 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-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
• PubChem CID: 135166630
• Molecular Formula: C67H44N2O
• Molecular Weight: 893.10 g/mol
• Exact Mass: 892.35
• IUPAC Name: N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3ccccc3-c3cccc4c3oc3ccccc34)cc2)cc1
• InChI: InChI=1S/C67H44N2O/c1-3-20-45(21-4-1)46-38-40-47(41-39-46)50-24-8-14-33-61(50)69(62-34-15-9-26-53(62)55-28-19-29-56-54-27-10-18-37-65(54)70-66(55)56)49-42-43-52-51-25-7-11-30-57(51)67(60(52)44-49)58-31-12-16-35-63(58)68(48-22-5-2-6-23-48)64-36-17-13-32-59(64)67/h1-44H
• InChIKey: IXSFKDJFEJSNHT-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-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?

The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine (CID 135166630) is N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine.

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

The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3ccccc3-c3cccc4c3oc3ccccc34)cc2)cc1.

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

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

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

N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-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-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 135166630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).