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

C58H37NOS — CID 168766676

IUPACN-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1cc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4cccc5oc6ccccc6c45)c3)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C58H37NOS/c1-2-13-40-34-43(29-28-38(40)12-1)39-30-32-46(33-31-39)59(48-19-9-17-45(37-48)49-22-11-26-55-57(49)53-21-3-5-25-54(53)60-55)47-18-8-15-42(36-47)41-14-7-16-44(35-41)50-23-10-24-52-51-20-4-6-27-56(51)61-58(50)52/h1-37H
InChIKeyUOFCHWBJLWNUDH-UHFFFAOYSA-N
MW796.01 g/mol
LogP17.24
Rot. Bonds7

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

N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 168766676) has the molecular formula C58H37NOS and a molecular weight of 796.01 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID168766676
Molecular FormulaC58H37NOS
Molecular Weight796.01 g/mol
Exact Mass795.26
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1cc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4cccc5oc6ccccc6c45)c3)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C58H37NOS/c1-2-13-40-34-43(29-28-38(40)12-1)39-30-32-46(33-31-39)59(48-19-9-17-45(37-48)49-22-11-26-55-57(49)53-21-3-5-25-54(53)60-55)47-18-8-15-42(36-47)41-14-7-16-44(35-41)50-23-10-24-52-51-20-4-6-27-56(51)61-58(50)52/h1-37H
InChIKeyUOFCHWBJLWNUDH-UHFFFAOYSA-N
XLogP17.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.01
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 168766755
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535193
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170535112
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767519
N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
CID 164835607
N-(3-dibenzofuran-1-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 176810568
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-(3-dibenzothiophen-4-ylphenyl)aniline
CID 118428359
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767596
N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline
CID 168766720
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3-phenylaniline
CID 170031800
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767116

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (CID 168766676) is N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is c1cc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4cccc5oc6ccccc6c45)c3)c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is UOFCHWBJLWNUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NOS/c1-2-13-40-34-43(29-28-38(40)12-1)39-30-32-46(33-31-39)59(48-19-9-17-45(37-48)49-22-11-26-55-57(49)53-21-3-5-25-54(53)60-55)47-18-8-15-42(36-47)41-14-7-16-44(35-41)50-23-10-24-52-51-20-4-6-27-56(51)61-58(50)52/h1-37H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 796.01 g/mol, XLogP of 17.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 168766676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).