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

C58H39NO — CID 166566167

IUPACN-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-2-12-43(13-3-1)53-17-6-7-18-54(53)44-27-34-52(35-28-44)59(51-32-25-42(26-33-51)49-29-36-58-56(39-49)55-19-8-9-20-57(55)60-58)50-30-23-41(24-31-50)46-15-10-16-47(37-46)48-22-21-40-11-4-5-14-45(40)38-48/h1-39H
InChIKeyHKUPUNHKRPYCDX-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

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

N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 166566167) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
PubChem CID166566167
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-2-12-43(13-3-1)53-17-6-7-18-54(53)44-27-34-52(35-28-44)59(51-32-25-42(26-33-51)49-29-36-58-56(39-49)55-19-8-9-20-57(55)60-58)50-30-23-41(24-31-50)46-15-10-16-47(37-46)48-22-21-40-11-4-5-14-45(40)38-48/h1-39H
InChIKeyHKUPUNHKRPYCDX-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-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
4-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 58510830
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 166566331
3-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535241
N,N-bis(4-dibenzofuran-2-ylphenyl)-3,5-diphenylaniline;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157066218
6-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 118406083
2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325244

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline (CID 166566167) is N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline?
The InChIKey is HKUPUNHKRPYCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-2-12-43(13-3-1)53-17-6-7-18-54(53)44-27-34-52(35-28-44)59(51-32-25-42(26-33-51)49-29-36-58-56(39-49)55-19-8-9-20-57(55)60-58)50-30-23-41(24-31-50)46-15-10-16-47(37-46)48-22-21-40-11-4-5-14-45(40)38-48/h1-39H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline?
N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)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-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166566167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).