N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline

C58H39NO — CID 168789772

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C58H39NO/c1-3-18-41(19-4-1)49-27-9-10-29-53(49)57-50(42-20-5-2-6-21-42)30-16-33-55(57)59(47-25-13-23-44(38-47)45-36-35-40-17-7-8-22-43(40)37-45)48-26-14-24-46(39-48)51-31-15-32-54-52-28-11-12-34-56(52)60-58(51)54/h1-39H
InChIKeyHJEGMJAHMUDNSI-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline

N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (PubChem CID 168789772) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
PubChem CID168789772
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C58H39NO/c1-3-18-41(19-4-1)49-27-9-10-29-53(49)57-50(42-20-5-2-6-21-42)30-16-33-55(57)59(47-25-13-23-44(38-47)45-36-35-40-17-7-8-22-43(40)37-45)48-26-14-24-46(39-48)51-31-15-32-54-52-28-11-12-34-56(52)60-58(51)54/h1-39H
InChIKeyHJEGMJAHMUDNSI-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-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168790758
N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168789688
N-(3-dibenzofuran-4-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 172501796
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
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)-N-(3-naphthalen-2-ylphenyl)-2-[4-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501754
N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186908
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170666084
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186610
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326067
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326166

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (CID 168789772) is N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The InChIKey is HJEGMJAHMUDNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-3-18-41(19-4-1)49-27-9-10-29-53(49)57-50(42-20-5-2-6-21-42)30-16-33-55(57)59(47-25-13-23-44(38-47)45-36-35-40-17-7-8-22-43(40)37-45)48-26-14-24-46(39-48)51-31-15-32-54-52-28-11-12-34-56(52)60-58(51)54/h1-39H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)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-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 168789772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).