4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline

C72H48N2O — CID 155398444

About 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline

4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 155398444) has the molecular formula C72H48N2O and a molecular weight of 957.19 g/mol. Its IUPAC name is 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
• PubChem CID: 155398444
• Molecular Formula: C72H48N2O
• Molecular Weight: 957.19 g/mol
• Exact Mass: 956.38
• IUPAC Name: 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-c5ccc(-c6cccc7oc8ccccc8c67)cc5)cc4)cc3)c2)cc1
• InChI: InChI=1S/C72H48N2O/c1-2-12-49(13-3-1)58-14-10-15-59(48-58)56-38-44-62(45-39-56)73(61-42-34-54(35-43-61)52-28-30-57(31-29-52)64-19-11-23-71-72(64)67-18-6-9-22-70(67)75-71)60-40-32-53(33-41-60)50-24-26-51(27-25-50)55-36-46-63(47-37-55)74-68-20-7-4-16-65(68)66-17-5-8-21-69(66)74/h1-48H
• InChIKey: AUXXEXUFYGGYPU-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.19
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?

The IUPAC name of 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (CID 155398444) is 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

What is the SMILES notation for 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?

The canonical SMILES for 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-c5ccc(-c6cccc7oc8ccccc8c67)cc5)cc4)cc3)c2)cc1.

What is the InChIKey of 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?

The InChIKey is AUXXEXUFYGGYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2O/c1-2-12-49(13-3-1)58-14-10-15-59(48-58)56-38-44-62(45-39-56)73(61-42-34-54(35-43-61)52-28-30-57(31-29-52)64-19-11-23-71-72(64)67-18-6-9-22-70(67)75-71)60-40-32-53(33-41-60)50-24-26-51(27-25-50)55-36-46-63(47-37-55)74-68-20-7-4-16-65(68)66-17-5-8-21-69(66)74/h1-48H.

What are the key properties of 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?

4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 957.19 g/mol, XLogP of 20.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 155398444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).