N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline

C72H48N2O — CID 139545263

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

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline (PubChem CID 139545263) has the molecular formula C72H48N2O and a molecular weight of 957.19 g/mol. Its IUPAC name is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
• PubChem CID: 139545263
• Molecular Formula: C72H48N2O
• Molecular Weight: 957.19 g/mol
• Exact Mass: 956.38
• IUPAC Name: N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
• SMILES: c1ccc(-c2cccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c2)cc1
• InChI: InChI=1S/C72H48N2O/c1-2-16-49(17-3-1)56-18-14-19-57(48-56)61-21-5-9-27-67(61)73(59-46-42-53(43-47-59)51-34-38-55(39-35-51)62-25-15-26-66-65-24-8-13-31-71(65)75-72(62)66)58-44-40-52(41-45-58)50-32-36-54(37-33-50)60-20-4-10-28-68(60)74-69-29-11-6-22-63(69)64-23-7-12-30-70(64)74/h1-48H
• InChIKey: UMKHLXSBADWOCL-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 N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline?

The IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline (CID 139545263) is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline.

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

The canonical SMILES for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c2)cc1.

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

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

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

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)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 N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline is sourced from PubChem (CID 139545263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).