N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline

C72H48N2O — CID 155398414

About N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline (PubChem CID 155398414) has the molecular formula C72H48N2O and a molecular weight of 957.19 g/mol. Its IUPAC name is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
• PubChem CID: 155398414
• Molecular Formula: C72H48N2O
• Molecular Weight: 957.19 g/mol
• Exact Mass: 956.38
• IUPAC Name: N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c3ccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)cc2)cc1
• InChI: InChI=1S/C72H48N2O/c1-2-15-49(16-3-1)50-35-37-55(38-36-50)62-21-4-8-26-67(62)73(60-45-41-54(42-46-60)56-17-12-19-58(47-56)63-25-14-30-71-72(63)66-24-7-11-29-70(66)75-71)59-43-39-52(40-44-59)51-31-33-53(34-32-51)57-18-13-20-61(48-57)74-68-27-9-5-22-64(68)65-23-6-10-28-69(65)74/h1-48H
• InChIKey: OMXAYZAJDASKKR-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-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline (CID 155398414) is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c3ccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline?

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

What are the key properties of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline?

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-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-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 155398414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).