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

C70H46N2O — CID 166566357

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

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 166566357) has the molecular formula C70H46N2O and a molecular weight of 931.15 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
• PubChem CID: 166566357
• Molecular Formula: C70H46N2O
• Molecular Weight: 931.15 g/mol
• Exact Mass: 930.36
• IUPAC Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
• SMILES: c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)cc(-c2ccc3ccccc3c2)c1
• InChI: InChI=1S/C70H46N2O/c1-2-12-53-44-57(28-27-47(53)11-1)55-14-9-13-54(43-55)50-25-23-48(24-26-50)49-29-36-59(37-30-49)71(61-40-33-52(34-41-61)58-35-42-70-66(46-58)65-19-5-8-22-69(65)73-70)60-38-31-51(32-39-60)56-15-10-16-62(45-56)72-67-20-6-3-17-63(67)64-18-4-7-21-68(64)72/h1-46H
• InChIKey: NRFWVOGOWDLUTC-UHFFFAOYSA-N
• XLogP: 19.64
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.15
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline (CID 166566357) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline.

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

The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline is c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)cc(-c2ccc3ccccc3c2)c1.

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

The InChIKey is NRFWVOGOWDLUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O/c1-2-12-53-44-57(28-27-47(53)11-1)55-14-9-13-54(43-55)50-25-23-48(24-26-50)49-29-36-59(37-30-49)71(61-40-33-52(34-41-61)58-35-42-70-66(46-58)65-19-5-8-22-69(65)73-70)60-38-31-51(32-39-60)56-15-10-16-62(45-56)72-67-20-6-3-17-63(67)64-18-4-7-21-68(64)72/h1-46H.

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

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 931.15 g/mol, XLogP of 19.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 166566357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).