2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline

C58H37NS2 — CID 167326325

IUPAC2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccccc2-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C58H37NS2/c1-2-15-47-40(11-1)12-10-19-48(47)41-25-23-38(24-26-41)42-13-9-14-46(35-42)59(45-31-27-39(28-32-45)43-29-33-52-50-17-4-7-21-55(50)60-57(52)36-43)54-20-6-3-16-49(54)44-30-34-53-51-18-5-8-22-56(51)61-58(53)37-44/h1-37H
InChIKeyZSXMCOWEEOLBTA-UHFFFAOYSA-N
MW812.08 g/mol
LogP17.71
Rot. Bonds7

About 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline

2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline (PubChem CID 167326325) 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-(4-naphthalen-1-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
PubChem CID167326325
Molecular FormulaC58H37NS2
Molecular Weight812.08 g/mol
Exact Mass811.24
IUPAC Name2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccccc2-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C58H37NS2/c1-2-15-47-40(11-1)12-10-19-48(47)41-25-23-38(24-26-41)42-13-9-14-46(35-42)59(45-31-27-39(28-32-45)43-29-33-52-50-17-4-7-21-55(50)60-57(52)36-43)54-20-6-3-16-49(54)44-30-34-53-51-18-5-8-22-56(51)61-58(53)37-44/h1-37H
InChIKeyZSXMCOWEEOLBTA-UHFFFAOYSA-N
XLogP17.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.08
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326227
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326186
2-dibenzothiophen-2-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324684
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767557
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082
2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767231
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326431
N-(4-dibenzothiophen-3-ylphenyl)-2-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 168846088
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767284
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The IUPAC name of 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline (CID 167326325) is 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The canonical SMILES for 2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline is c1cc(-c2ccc(-c3cccc4ccccc34)cc2)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-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The InChIKey is ZSXMCOWEEOLBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NS2/c1-2-15-47-40(11-1)12-10-19-48(47)41-25-23-38(24-26-41)42-13-9-14-46(35-42)59(45-31-27-39(28-32-45)43-29-33-52-50-17-4-7-21-55(50)60-57(52)36-43)54-20-6-3-16-49(54)44-30-34-53-51-18-5-8-22-56(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-(4-naphthalen-1-ylphenyl)phenyl]aniline?
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-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-(4-naphthalen-1-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167326325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).