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

C58H37NS2 — CID 168767309

IUPAC2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccccc3-c3ccc4sc5ccccc5c4c3)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C58H37NS2/c1-2-22-46-38(14-1)15-12-26-47(46)42-19-11-21-45(36-42)59(54-29-6-3-23-48(54)43-32-33-57-53(37-43)51-25-5-7-30-55(51)60-57)44-20-10-17-40(35-44)39-16-9-18-41(34-39)49-27-13-28-52-50-24-4-8-31-56(50)61-58(49)52/h1-37H
InChIKeyUVKWNDXAHROONL-UHFFFAOYSA-N
MW812.08 g/mol
LogP17.71
Rot. Bonds7

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

2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline (PubChem CID 168767309) has the molecular formula C58H37NS2 and a molecular weight of 812.08 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
PubChem CID168767309
Molecular FormulaC58H37NS2
Molecular Weight812.08 g/mol
Exact Mass811.24
IUPAC Name2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccccc3-c3ccc4sc5ccccc5c4c3)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C58H37NS2/c1-2-22-46-38(14-1)15-12-26-47(46)42-19-11-21-45(36-42)59(54-29-6-3-23-48(54)43-32-33-57-53(37-43)51-25-5-7-30-55(51)60-57)44-20-10-17-40(35-44)39-16-9-18-41(34-39)49-27-13-28-52-50-24-4-8-31-56(50)61-58(49)52/h1-37H
InChIKeyUVKWNDXAHROONL-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-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)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

N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline
CID 168767040
2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168766864
2-dibenzothiophen-2-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324684
2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 167324864
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 169062575
2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 168766751
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine
CID 168767052
N-(3-dibenzothiophen-3-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-ylaniline
CID 168766635
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
CID 168846205
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151
2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767231
2-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326227

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline (CID 168767309) is 2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline is c1cc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccccc3-c3ccc4sc5ccccc5c4c3)c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline?
The InChIKey is UVKWNDXAHROONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NS2/c1-2-22-46-38(14-1)15-12-26-47(46)42-19-11-21-45(36-42)59(54-29-6-3-23-48(54)43-32-33-57-53(37-43)51-25-5-7-30-55(51)60-57)44-20-10-17-40(35-44)39-16-9-18-41(34-39)49-27-13-28-52-50-24-4-8-31-56(50)61-58(49)52/h1-37H.
What are the key properties of 2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline?
2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)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-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 168767309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).