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

C56H37NS — CID 167324592

IUPAC2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccccc2-c2cccc3ccccc23)c(-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C56H37NS/c1-3-17-45-40(13-1)15-11-22-46(45)42-29-27-38(28-30-42)39-31-34-44(35-32-39)57(54-25-9-6-20-50(54)49-23-12-16-41-14-2-4-18-47(41)49)53-24-8-5-19-48(53)43-33-36-52-51-21-7-10-26-55(51)58-56(52)37-43/h1-37H
InChIKeyUZDQMNBJXGKGPU-UHFFFAOYSA-N
MW755.99 g/mol
LogP16.50
Rot. Bonds7

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

2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (PubChem CID 167324592) has the molecular formula C56H37NS and a molecular weight of 755.99 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
PubChem CID167324592
Molecular FormulaC56H37NS
Molecular Weight755.99 g/mol
Exact Mass755.26
IUPAC Name2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccccc2-c2cccc3ccccc23)c(-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C56H37NS/c1-3-17-45-40(13-1)15-11-22-46(45)42-29-27-38(28-30-42)39-31-34-44(35-32-39)57(54-25-9-6-20-50(54)49-23-12-16-41-14-2-4-18-47(41)49)53-24-8-5-19-48(53)43-33-36-52-51-21-7-10-26-55(51)58-56(52)37-43/h1-37H
InChIKeyUZDQMNBJXGKGPU-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.99
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326186
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326325
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 163594964
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
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326130
N-(4-dibenzothiophen-3-ylphenyl)-2-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 168846088
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 167324801
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The IUPAC name of 2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (CID 167324592) is 2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The canonical SMILES for 2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is c1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccccc2-c2cccc3ccccc23)c(-c2ccc3c(c2)sc2ccccc23)c1.
What is the InChIKey of 2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The InChIKey is UZDQMNBJXGKGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NS/c1-3-17-45-40(13-1)15-11-22-46(45)42-29-27-38(28-30-42)39-31-34-44(35-32-39)57(54-25-9-6-20-50(54)49-23-12-16-41-14-2-4-18-47(41)49)53-24-8-5-19-48(53)43-33-36-52-51-21-7-10-26-55(51)58-56(52)37-43/h1-37H.
What are the key properties of 2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline has a molecular weight of 755.99 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167324592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).