3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline

C58H39NO — CID 164831619

IUPAC3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H39NO/c1-3-14-41(15-4-1)52-37-32-45(39-56(52)43-16-5-2-6-17-43)40-28-33-47(34-29-40)59(48-35-30-44(31-36-48)51-24-12-19-42-18-7-8-22-50(42)51)49-21-11-20-46(38-49)53-25-13-26-55-54-23-9-10-27-57(54)60-58(53)55/h1-39H
InChIKeyXNMWVSVNCYZOCN-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About 3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline

3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 164831619) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID164831619
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC Name3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H39NO/c1-3-14-41(15-4-1)52-37-32-45(39-56(52)43-16-5-2-6-17-43)40-28-33-47(34-29-40)59(48-35-30-44(31-36-48)51-24-12-19-42-18-7-8-22-50(42)51)49-21-11-20-46(38-49)53-25-13-26-55-54-23-9-10-27-57(54)60-58(53)55/h1-39H
InChIKeyXNMWVSVNCYZOCN-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)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline
CID 167235611
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N,N-bis[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(2-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161497099
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804297
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
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-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 121296696
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline (CID 164831619) is 3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is XNMWVSVNCYZOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-3-14-41(15-4-1)52-37-32-45(39-56(52)43-16-5-2-6-17-43)40-28-33-47(34-29-40)59(48-35-30-44(31-36-48)51-24-12-19-42-18-7-8-22-50(42)51)49-21-11-20-46(38-49)53-25-13-26-55-54-23-9-10-27-57(54)60-58(53)55/h1-39H.
What are the key properties of 3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)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 3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 164831619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).