N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline

C58H39NO — CID 168789860

IUPACN-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C58H39NO/c1-3-16-40(17-4-1)41-32-36-45(37-33-41)59(46-38-34-44(35-39-46)49-27-14-29-54-52-24-11-12-31-56(52)60-58(49)54)55-30-15-26-48(43-18-5-2-6-19-43)57(55)53-25-10-9-23-51(53)50-28-13-21-42-20-7-8-22-47(42)50/h1-39H
InChIKeyUQOKOLDLFXINLQ-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 168789860) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
PubChem CID168789860
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C58H39NO/c1-3-16-40(17-4-1)41-32-36-45(37-33-41)59(46-38-34-44(35-39-46)49-27-14-29-54-52-24-11-12-31-56(52)60-58(49)54)55-30-15-26-48(43-18-5-2-6-19-43)57(55)53-25-10-9-23-51(53)50-28-13-21-42-20-7-8-22-47(42)50/h1-39H
InChIKeyUQOKOLDLFXINLQ-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)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788600
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788827
N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 155374408
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170666084
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-4-amine
CID 135271698
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789686
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 170676822
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline (CID 168789860) is N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is UQOKOLDLFXINLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-3-16-40(17-4-1)41-32-36-45(37-33-41)59(46-38-34-44(35-39-46)49-27-14-29-54-52-24-11-12-31-56(52)60-58(49)54)55-30-15-26-48(43-18-5-2-6-19-43)57(55)53-25-10-9-23-51(53)50-28-13-21-42-20-7-8-22-47(42)50/h1-39H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-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-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 168789860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).