N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline

C67H45NO — CID 168839801

About N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline (PubChem CID 168839801) has the molecular formula C67H45NO and a molecular weight of 880.10 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
• PubChem CID: 168839801
• Molecular Formula: C67H45NO
• Molecular Weight: 880.10 g/mol
• Exact Mass: 879.35
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
• SMILES: c1ccc(-c2cccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1
• InChI: InChI=1S/C67H45NO/c1-4-19-46(20-5-1)49-22-17-28-55(44-49)68(54-40-37-47(38-41-54)57-32-18-33-60-59-31-12-15-36-65(59)69-66(57)60)64-35-14-11-29-56(64)51-23-16-21-48(43-51)50-39-42-63-61(45-50)58-30-10-13-34-62(58)67(63,52-24-6-2-7-25-52)53-26-8-3-9-27-53/h1-45H
• InChIKey: TWZPQGPVYIIKTB-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.10
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline (CID 168839801) is N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?

The InChIKey is TWZPQGPVYIIKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NO/c1-4-19-46(20-5-1)49-22-17-28-55(44-49)68(54-40-37-47(38-41-54)57-32-18-33-60-59-31-12-15-36-65(59)69-66(57)60)64-35-14-11-29-56(64)51-23-16-21-48(43-51)50-39-42-63-61(45-50)58-30-10-13-34-62(58)67(63,52-24-6-2-7-25-52)53-26-8-3-9-27-53/h1-45H.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline?

N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline has a molecular weight of 880.10 g/mol, XLogP of 18.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 168839801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).