N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C58H39NO — CID 170294756

IUPACN-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c3ccccc3-c3cccc4oc5ccccc5c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C58H39NO/c1-4-19-40(20-5-1)44-37-38-54(51(39-44)42-23-8-3-9-24-42)59(53-34-14-11-28-47(53)49-32-18-36-56-58(49)50-29-12-15-35-55(50)60-56)52-33-13-10-27-46(52)48-31-17-26-43-25-16-30-45(57(43)48)41-21-6-2-7-22-41/h1-39H
InChIKeyCLIUTUMWHBJRRN-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170294756) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170294756
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c3ccccc3-c3cccc4oc5ccccc5c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C58H39NO/c1-4-19-40(20-5-1)44-37-38-54(51(39-44)42-23-8-3-9-24-42)59(53-34-14-11-28-47(53)49-32-18-36-56-58(49)50-29-12-15-35-55(50)60-56)52-33-13-10-27-46(52)48-31-17-26-43-25-16-30-45(57(43)48)41-21-6-2-7-22-41/h1-39H
InChIKeyCLIUTUMWHBJRRN-UHFFFAOYSA-N
XLogP16.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294710
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167325177
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294764
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 170294786
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294769
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301545
2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 170665979
N-(4-dibenzofuran-1-ylphenyl)-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737704
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294640
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300509
N-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737446
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300451

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170294756) is N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c3ccccc3-c3cccc4oc5ccccc5c34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is CLIUTUMWHBJRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-4-19-40(20-5-1)44-37-38-54(51(39-44)42-23-8-3-9-24-42)59(53-34-14-11-28-47(53)49-32-18-36-56-58(49)50-29-12-15-35-55(50)60-56)52-33-13-10-27-46(52)48-31-17-26-43-25-16-30-45(57(43)48)41-21-6-2-7-22-41/h1-39H.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 765.96 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170294756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).