N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline

C58H37NS2 — CID 168846205

IUPACN-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccccc2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C58H37NS2/c1-2-17-45-38(13-1)14-10-21-46(45)41-15-9-16-42(37-41)47-18-3-6-25-53(47)59(43-33-29-39(30-34-43)48-22-12-28-56-57(48)52-20-5-8-27-55(52)60-56)44-35-31-40(32-36-44)49-23-11-24-51-50-19-4-7-26-54(50)61-58(49)51/h1-37H
InChIKeyCXKNMBPDRHWSIY-UHFFFAOYSA-N
MW812.08 g/mol
LogP17.71
Rot. Bonds7

About N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline

N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline (PubChem CID 168846205) has the molecular formula C58H37NS2 and a molecular weight of 812.08 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
PubChem CID168846205
Molecular FormulaC58H37NS2
Molecular Weight812.08 g/mol
Exact Mass811.24
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccccc2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C58H37NS2/c1-2-17-45-38(13-1)14-10-21-46(45)41-15-9-16-42(37-41)47-18-3-6-25-53(47)59(43-33-29-39(30-34-43)48-22-12-28-56-57(48)52-20-5-8-27-55(52)60-56)44-35-31-40(32-36-44)49-23-11-24-51-50-19-4-7-26-54(50)61-58(49)51/h1-37H
InChIKeyCXKNMBPDRHWSIY-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

2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 163594964
2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170015375
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline
CID 164831984
2-dibenzothiophen-2-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767309
N-(2-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235510
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-2-phenylaniline
CID 170040606
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
2-[3-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167086686
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167397344
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline (CID 168846205) is N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline is c1cc(-c2ccccc2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline?
The InChIKey is CXKNMBPDRHWSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NS2/c1-2-17-45-38(13-1)14-10-21-46(45)41-15-9-16-42(37-41)47-18-3-6-25-53(47)59(43-33-29-39(30-34-43)48-22-12-28-56-57(48)52-20-5-8-27-55(52)60-56)44-35-31-40(32-36-44)49-23-11-24-51-50-19-4-7-26-54(50)61-58(49)51/h1-37H.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline?
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(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 N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 168846205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).