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

C58H37NO2 — CID 167325117

IUPAC2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C58H37NO2/c1-2-12-43-37-44(28-27-38(43)11-1)41-25-23-39(24-26-41)40-29-33-45(34-30-40)59(46-35-31-42(32-36-46)47-16-9-18-51-49-14-4-7-20-54(49)61-58(47)51)53-19-6-3-13-48(53)50-17-10-22-56-57(50)52-15-5-8-21-55(52)60-56/h1-37H
InChIKeyZLKXMXCUFHDZBE-UHFFFAOYSA-N
MW779.94 g/mol
LogP16.78
Rot. Bonds7

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

2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 167325117) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
PubChem CID167325117
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC Name2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C58H37NO2/c1-2-12-43-37-44(28-27-38(43)11-1)41-25-23-39(24-26-41)40-29-33-45(34-30-40)59(46-35-31-42(32-36-46)47-16-9-18-51-49-14-4-7-20-54(49)61-58(47)51)53-19-6-3-13-48(53)50-17-10-22-56-57(50)52-15-5-8-21-55(52)60-56/h1-37H
InChIKeyZLKXMXCUFHDZBE-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

2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325155
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374329
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)aniline
CID 155374481
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 166566033
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
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 166939334
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374411
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The IUPAC name of 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (CID 167325117) is 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is c1ccc(N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The InChIKey is ZLKXMXCUFHDZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-2-12-43-37-44(28-27-38(43)11-1)41-25-23-39(24-26-41)40-29-33-45(34-30-40)59(46-35-31-42(32-36-46)47-16-9-18-51-49-14-4-7-20-54(49)61-58(47)51)53-19-6-3-13-48(53)50-17-10-22-56-57(50)52-15-5-8-21-55(52)60-56/h1-37H.
What are the key properties of 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-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-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167325117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).