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

C62H41NS — CID 167326186

IUPAC2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccccc2-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccccc2-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C62H41NS/c1-3-20-51-44(14-1)16-12-26-52(51)46-32-30-42(31-33-46)43-34-37-49(38-35-43)63(60-28-9-7-23-55(60)48-36-39-59-58-25-8-10-29-61(58)64-62(59)41-48)50-19-11-18-47(40-50)54-22-5-6-24-56(54)57-27-13-17-45-15-2-4-21-53(45)57/h1-41H
InChIKeyRKNJYBFSIRMWAW-UHFFFAOYSA-N
MW832.08 g/mol
LogP18.17
Rot. Bonds8

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

2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (PubChem CID 167326186) has the molecular formula C62H41NS and a molecular weight of 832.08 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
PubChem CID167326186
Molecular FormulaC62H41NS
Molecular Weight832.08 g/mol
Exact Mass831.30
IUPAC Name2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccccc2-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccccc2-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C62H41NS/c1-3-20-51-44(14-1)16-12-26-52(51)46-32-30-42(31-33-46)43-34-37-49(38-35-43)63(60-28-9-7-23-55(60)48-36-39-59-58-25-8-10-29-61(58)64-62(59)41-48)50-19-11-18-47(40-50)54-22-5-6-24-56(54)57-27-13-17-45-15-2-4-21-53(45)57/h1-41H
InChIKeyRKNJYBFSIRMWAW-UHFFFAOYSA-N
XLogP18.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.08
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(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-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326325
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-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502469
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
2-dibenzothiophen-3-yl-N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324592
2-dibenzothiophen-2-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324684
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326431
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767557
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326130

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The IUPAC name of 2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (CID 167326186) is 2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The canonical SMILES for 2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is c1cc(-c2ccccc2-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccccc2-c2ccc3c(c2)sc2ccccc23)c1.
What is the InChIKey of 2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The InChIKey is RKNJYBFSIRMWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NS/c1-3-20-51-44(14-1)16-12-26-52(51)46-32-30-42(31-33-46)43-34-37-49(38-35-43)63(60-28-9-7-23-55(60)48-36-39-59-58-25-8-10-29-61(58)64-62(59)41-48)50-19-11-18-47(40-50)54-22-5-6-24-56(54)57-27-13-17-45-15-2-4-21-53(45)57/h1-41H.
What are the key properties of 2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline has a molecular weight of 832.08 g/mol, XLogP of 18.17, 8 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-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167326186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).