4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline

C66H43N3O — CID 164786369

About 4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline

4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline (PubChem CID 164786369) has the molecular formula C66H43N3O and a molecular weight of 894.09 g/mol. Its IUPAC name is 4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
• PubChem CID: 164786369
• Molecular Formula: C66H43N3O
• Molecular Weight: 894.09 g/mol
• Exact Mass: 893.34
• IUPAC Name: 4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
• SMILES: c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C66H43N3O/c1-4-15-49(16-5-1)67(50-17-6-2-7-18-50)52-34-27-44(28-35-52)46-31-38-63-59(41-46)60-43-48(47-32-39-62-58(42-47)55-21-10-12-25-61(55)68(62)51-19-8-3-9-20-51)33-40-64(60)69(63)53-36-29-45(30-37-53)54-23-14-24-57-56-22-11-13-26-65(56)70-66(54)57/h1-43H
• InChIKey: YXXCKMWNRUDRAH-UHFFFAOYSA-N
• XLogP: 18.25
• TPSA: 26.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.09
LogP ≤ 5	18.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline?

The IUPAC name of 4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline (CID 164786369) is 4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline.

What is the SMILES notation for 4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline?

The canonical SMILES for 4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.

What is the InChIKey of 4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline?

The InChIKey is YXXCKMWNRUDRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3O/c1-4-15-49(16-5-1)67(50-17-6-2-7-18-50)52-34-27-44(28-35-52)46-31-38-63-59(41-46)60-43-48(47-32-39-62-58(42-47)55-21-10-12-25-61(55)68(62)51-19-8-3-9-20-51)33-40-64(60)69(63)53-36-29-45(30-37-53)54-23-14-24-57-56-22-11-13-26-65(56)70-66(54)57/h1-43H.

What are the key properties of 4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline?

4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 894.09 g/mol, XLogP of 18.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 164786369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).