N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C67H43NO — CID 167484367

About N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 167484367) has the molecular formula C67H43NO and a molecular weight of 878.09 g/mol. Its IUPAC name is N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 167484367
• Molecular Formula: C67H43NO
• Molecular Weight: 878.09 g/mol
• Exact Mass: 877.33
• IUPAC Name: N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)ccc4-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C67H43NO/c1-3-16-44(17-4-1)46-30-35-49(36-31-46)68(51-39-41-56-55-22-9-13-28-63(55)67(64(56)43-51)61-26-11-7-20-53(61)54-21-8-12-27-62(54)67)50-37-32-47(33-38-50)60-42-48(45-18-5-2-6-19-45)34-40-52(60)58-24-15-25-59-57-23-10-14-29-65(57)69-66(58)59/h1-43H
• InChIKey: ZYLFCJKFXHBBIW-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.09
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 167484367) is N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)ccc4-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.

What is the InChIKey of N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is ZYLFCJKFXHBBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NO/c1-3-16-44(17-4-1)46-30-35-49(36-31-46)68(51-39-41-56-55-22-9-13-28-63(55)67(64(56)43-51)61-26-11-7-20-53(61)54-21-8-12-27-62(54)67)50-37-32-47(33-38-50)60-42-48(45-18-5-2-6-19-45)34-40-52(60)58-24-15-25-59-57-23-10-14-29-65(57)69-66(58)59/h1-43H.

What are the key properties of N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 878.09 g/mol, XLogP of 18.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 167484367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).