2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline

C58H37NS2 — CID 167326431

About 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline

2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 167326431) has the molecular formula C58H37NS2 and a molecular weight of 812.08 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
• PubChem CID: 167326431
• Molecular Formula: C58H37NS2
• Molecular Weight: 812.08 g/mol
• Exact Mass: 811.24
• IUPAC Name: 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
• SMILES: c1cc(-c2ccccc2-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccccc2-c2ccc3c(c2)sc2ccccc23)c1
• InChI: InChI=1S/C58H37NS2/c1-2-13-40-34-43(25-24-38(40)12-1)48-17-4-3-16-47(48)42-14-11-15-46(35-42)59(45-30-26-39(27-31-45)41-28-32-52-50-19-6-9-22-55(50)60-57(52)36-41)54-21-8-5-18-49(54)44-29-33-53-51-20-7-10-23-56(51)61-58(53)37-44/h1-37H
• InChIKey: AHRHOPSHWYXSOF-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 3.24 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.08
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline (CID 167326431) is 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline.

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

The canonical SMILES for 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline is c1cc(-c2ccccc2-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccccc2-c2ccc3c(c2)sc2ccccc23)c1.

What is the InChIKey of 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline?

The InChIKey is AHRHOPSHWYXSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NS2/c1-2-13-40-34-43(25-24-38(40)12-1)48-17-4-3-16-47(48)42-14-11-15-46(35-42)59(45-30-26-39(27-31-45)41-28-32-52-50-19-6-9-22-55(50)60-57(52)36-41)54-21-8-5-18-49(54)44-29-33-53-51-20-7-10-23-56(51)61-58(53)37-44/h1-37H.

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

2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 812.08 g/mol, XLogP of 17.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167326431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).