2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline

C58H39NO — CID 170666327

IUPAC2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc(-c4ccccc4)c3-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C58H39NO/c1-4-18-40(19-5-1)45-36-46(41-20-6-2-7-21-41)39-48(38-45)59(47-27-14-26-44(37-47)50-30-15-25-42-24-10-11-28-49(42)50)54-33-16-31-51(43-22-8-3-9-23-43)57(54)53-32-17-35-56-58(53)52-29-12-13-34-55(52)60-56/h1-39H
InChIKeyUEBZQYDDVWCIOJ-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About 2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline

2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline (PubChem CID 170666327) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline
PubChem CID170666327
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC Name2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc(-c4ccccc4)c3-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C58H39NO/c1-4-18-40(19-5-1)45-36-46(41-20-6-2-7-21-41)39-48(38-45)59(47-27-14-26-44(37-47)50-30-15-25-42-24-10-11-28-49(42)50)54-33-16-31-51(43-22-8-3-9-23-43)57(54)53-32-17-35-56-58(53)52-29-12-13-34-55(52)60-56/h1-39H
InChIKeyUEBZQYDDVWCIOJ-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-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168788997
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170535027
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301232
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168790250
N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167233850
N-(3-naphthalen-1-ylphenyl)-3,5-diphenyl-N-(2-phenylphenyl)aniline
CID 167324104
N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739159
2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324594
2-dibenzofuran-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324805
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325582
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline?
The IUPAC name of 2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline (CID 170666327) is 2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline.
What is the SMILES notation for 2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline?
The canonical SMILES for 2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc(-c4ccccc4)c3-c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline?
The InChIKey is UEBZQYDDVWCIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-4-18-40(19-5-1)45-36-46(41-20-6-2-7-21-41)39-48(38-45)59(47-27-14-26-44(37-47)50-30-15-25-42-24-10-11-28-49(42)50)54-33-16-31-51(43-22-8-3-9-23-43)57(54)53-32-17-35-56-58(53)52-29-12-13-34-55(52)60-56/h1-39H.
What are the key properties of 2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline?
2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline 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 2-dibenzofuran-1-yl-N-(3,5-diphenylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline is sourced from PubChem (CID 170666327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).