N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine

C64H44N2S — CID 147348264

About N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine (PubChem CID 147348264) has the molecular formula C64H44N2S and a molecular weight of 873.14 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
• PubChem CID: 147348264
• Molecular Formula: C64H44N2S
• Molecular Weight: 873.14 g/mol
• Exact Mass: 872.32
• IUPAC Name: N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)c6cccc7ccccc67)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C64H44N2S/c1-3-12-45(13-4-1)46-22-24-47(25-23-46)48-26-35-55(36-27-48)65(54-16-5-2-6-17-54)56-37-28-49(29-38-56)50-30-39-57(40-31-50)66(62-20-11-15-52-14-7-8-18-59(52)62)58-41-32-51(33-42-58)53-34-43-64-61(44-53)60-19-9-10-21-63(60)67-64/h1-44H
• InChIKey: DEWJHKRWEDNBJZ-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 6.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.14
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine?

The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine (CID 147348264) is N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)c6cccc7ccccc67)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine?

The InChIKey is DEWJHKRWEDNBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2S/c1-3-12-45(13-4-1)46-22-24-47(25-23-46)48-26-35-55(36-27-48)65(54-16-5-2-6-17-54)56-37-28-49(29-38-56)50-30-39-57(40-31-50)66(62-20-11-15-52-14-7-8-18-59(52)62)58-41-32-51(33-42-58)53-34-43-64-61(44-53)60-19-9-10-21-63(60)67-64/h1-44H.

What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine?

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 873.14 g/mol, XLogP of 18.82, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 147348264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).