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

C72H48N2O — CID 153314610

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

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 153314610) 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-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
• PubChem CID: 153314610
• 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-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C72H48N2O/c1-2-11-49(12-3-1)50-21-23-51(24-22-50)54-33-40-61(41-34-54)73(63-44-37-56(38-45-63)53-27-31-58(32-28-53)60-39-46-68-67-17-6-9-20-71(67)75-72(68)48-60)62-42-35-55(36-43-62)52-25-29-57(30-26-52)59-13-10-14-64(47-59)74-69-18-7-4-15-65(69)66-16-5-8-19-70(66)74/h1-48H
• InChIKey: OCPORRRDYBVRGC-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-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline (CID 153314610) is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline.

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

The canonical SMILES for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4)cc3)cc2)cc1.

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

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

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

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(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-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 153314610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).