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

C58H37NOS — CID 167325907

IUPAC2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccccc2-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccccc2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C58H37NOS/c1-2-13-40-34-43(25-24-38(40)12-1)48-17-4-3-16-47(48)42-14-11-15-46(35-42)59(45-30-26-39(27-31-45)41-28-32-52-51-20-7-10-23-57(51)61-58(52)37-41)54-21-8-5-18-49(54)44-29-33-56-53(36-44)50-19-6-9-22-55(50)60-56/h1-37H
InChIKeyZBRCYEDIBOIYPJ-UHFFFAOYSA-N
MW796.01 g/mol
LogP17.24
Rot. Bonds7

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

2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 167325907) has the molecular formula C58H37NOS and a molecular weight of 796.01 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
PubChem CID167325907
Molecular FormulaC58H37NOS
Molecular Weight796.01 g/mol
Exact Mass795.26
IUPAC Name2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccccc2-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccccc2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C58H37NOS/c1-2-13-40-34-43(25-24-38(40)12-1)48-17-4-3-16-47(48)42-14-11-15-46(35-42)59(45-30-26-39(27-31-45)41-28-32-52-51-20-7-10-23-57(51)61-58(52)37-41)54-21-8-5-18-49(54)44-29-33-56-53(36-44)50-19-6-9-22-55(50)60-56/h1-37H
InChIKeyZBRCYEDIBOIYPJ-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-(4-dibenzofuran-3-ylphenyl)-2-dibenzothiophen-3-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167326309
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767680
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-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168766912
N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767128
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 167325122
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 168766924
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-yldibenzofuran-3-amine
CID 163485828
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 167325463
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325453

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The IUPAC name of 2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline (CID 167325907) is 2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for 2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline is c1cc(-c2ccccc2-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccccc2-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The InChIKey is ZBRCYEDIBOIYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NOS/c1-2-13-40-34-43(25-24-38(40)12-1)48-17-4-3-16-47(48)42-14-11-15-46(35-42)59(45-30-26-39(27-31-45)41-28-32-52-51-20-7-10-23-57(51)61-58(52)37-41)54-21-8-5-18-49(54)44-29-33-56-53(36-44)50-19-6-9-22-55(50)60-56/h1-37H.
What are the key properties of 2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline?
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]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 2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167325907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).