N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline

C64H42N2O — CID 139545467

About N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline

N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline (PubChem CID 139545467) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline.

Molecular Properties

• Compound Name: N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
• PubChem CID: 139545467
• Molecular Formula: C64H42N2O
• Molecular Weight: 855.05 g/mol
• Exact Mass: 854.33
• IUPAC Name: N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c(-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C64H42N2O/c1-2-13-43(14-3-1)50-33-40-54(62(42-50)66-60-22-9-6-17-56(60)57-18-7-10-23-61(57)66)46-29-36-52(37-30-46)65(51-34-27-45(28-35-51)49-26-25-44-15-4-5-16-48(44)41-49)53-38-31-47(32-39-53)55-20-12-21-59-58-19-8-11-24-63(58)67-64(55)59/h1-42H
• InChIKey: GRKGJOPODKBAOA-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.05
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline (CID 139545467) is N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline.

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

The canonical SMILES for N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c(-n3c4ccccc4c4ccccc43)c2)cc1.

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

The InChIKey is GRKGJOPODKBAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-2-13-43(14-3-1)50-33-40-54(62(42-50)66-60-22-9-6-17-56(60)57-18-7-10-23-61(57)66)46-29-36-52(37-30-46)65(51-34-27-45(28-35-51)49-26-25-44-15-4-5-16-48(44)41-49)53-38-31-47(32-39-53)55-20-12-21-59-58-19-8-11-24-63(58)67-64(55)59/h1-42H.

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

N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline is sourced from PubChem (CID 139545467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).