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

C58H37NO2 — CID 167326166

IUPAC2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccccc2-c2ccc3ccccc3c2)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C58H37NO2/c1-2-14-40-35-42(28-27-38(40)13-1)47-18-4-3-17-46(47)41-15-11-16-45(36-41)59(44-32-29-39(30-33-44)49-22-12-23-52-50-20-6-10-26-56(50)61-58(49)52)54-24-8-5-19-48(54)43-31-34-57-53(37-43)51-21-7-9-25-55(51)60-57/h1-37H
InChIKeyUENDETHVHKQDHP-UHFFFAOYSA-N
MW779.94 g/mol
LogP16.78
Rot. Bonds7

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

2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 167326166) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
PubChem CID167326166
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC Name2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccccc2-c2ccc3ccccc3c2)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C58H37NO2/c1-2-14-40-35-42(28-27-38(40)13-1)47-18-4-3-17-46(47)41-15-11-16-45(36-41)59(44-32-29-39(30-33-44)49-22-12-23-52-50-20-6-10-26-56(50)61-58(49)52)54-24-8-5-19-48(54)43-31-34-57-53(37-43)51-21-7-9-25-55(51)60-57/h1-37H
InChIKeyUENDETHVHKQDHP-UHFFFAOYSA-N
XLogP16.78
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326067
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186610
2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325155
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374329
N-(4-dibenzofuran-4-ylphenyl)-2-[3-[6-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]naphthalen-2-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155133205
N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186908
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501519
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374411
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324733
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[4-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501754

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The IUPAC name of 2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline (CID 167326166) is 2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for 2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline is c1cc(-c2ccccc2-c2ccc3ccccc3c2)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The InChIKey is UENDETHVHKQDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-2-14-40-35-42(28-27-38(40)13-1)47-18-4-3-17-46(47)41-15-11-16-45(36-41)59(44-32-29-39(30-33-44)49-22-12-23-52-50-20-6-10-26-56(50)61-58(49)52)54-24-8-5-19-48(54)43-31-34-57-53(37-43)51-21-7-9-25-55(51)60-57/h1-37H.
What are the key properties of 2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline?
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 779.94 g/mol, XLogP of 16.78, 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-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167326166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).