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

C58H37NS2 — CID 168766751

IUPAC2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
SMILESc1cc(-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C58H37NS2/c1-2-14-39-33-43(30-29-38(39)13-1)42-17-11-20-47(36-42)59(54-26-6-3-21-48(54)45-31-32-52-50-22-4-7-27-55(50)60-57(52)37-45)46-19-10-16-41(35-46)40-15-9-18-44(34-40)49-24-12-25-53-51-23-5-8-28-56(51)61-58(49)53/h1-37H
InChIKeyWGYOZCLAXYMWGI-UHFFFAOYSA-N
MW812.08 g/mol
LogP17.71
Rot. Bonds7

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

2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline (PubChem CID 168766751) has the molecular formula C58H37NS2 and a molecular weight of 812.08 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
PubChem CID168766751
Molecular FormulaC58H37NS2
Molecular Weight812.08 g/mol
Exact Mass811.24
IUPAC Name2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
SMILESc1cc(-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C58H37NS2/c1-2-14-39-33-43(30-29-38(39)13-1)42-17-11-20-47(36-42)59(54-26-6-3-21-48(54)45-31-32-52-50-22-4-7-27-55(50)60-57(52)37-45)46-19-10-16-41(35-46)40-15-9-18-44(34-40)49-24-12-25-53-51-23-5-8-28-56(51)61-58(49)53/h1-37H
InChIKeyWGYOZCLAXYMWGI-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

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Related Compounds

N-(3-dibenzothiophen-3-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-ylaniline
CID 168766635
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-2-ylaniline
CID 168767040
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767557
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326431
2-dibenzothiophen-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325263
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 168766924
N-[2-[3-(N-dibenzothiophen-3-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-9-amine
CID 167086451
2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767309
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767680
N,N-bis(3-dibenzothiophen-4-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;3-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;7-dibenzothiophen-4-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161495248
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(4-phenylphenyl)aniline
CID 158744842
2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767231

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline (CID 168766751) is 2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline is c1cc(-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline?
The InChIKey is WGYOZCLAXYMWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NS2/c1-2-14-39-33-43(30-29-38(39)13-1)42-17-11-20-47(36-42)59(54-26-6-3-21-48(54)45-31-32-52-50-22-4-7-27-55(50)60-57(52)37-45)46-19-10-16-41(35-46)40-15-9-18-44(34-40)49-24-12-25-53-51-23-5-8-28-56(51)61-58(49)53/h1-37H.
What are the key properties of 2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline?
2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-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-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 168766751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).