3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline

C54H37NO — CID 59136968

IUPAC3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)cc1
InChIInChI=1S/C54H37NO/c1-3-11-38(12-4-1)40-21-25-42(26-22-40)44-29-33-47(34-30-44)55(48-35-31-45(32-36-48)43-27-23-41(24-28-43)39-13-5-2-6-14-39)49-16-9-15-46(37-49)50-18-10-19-52-51-17-7-8-20-53(51)56-54(50)52/h1-37H
InChIKeyOHJCFGNAEBTOMG-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.39
Rot. Bonds8

About 3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline

3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 59136968) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
PubChem CID59136968
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC Name3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)cc1
InChIInChI=1S/C54H37NO/c1-3-11-38(12-4-1)40-21-25-42(26-22-40)44-29-33-47(34-30-44)55(48-35-31-45(32-36-48)43-27-23-41(24-28-43)39-13-5-2-6-14-39)49-16-9-15-46(37-49)50-18-10-19-52-51-17-7-8-20-53(51)56-54(50)52/h1-37H
InChIKeyOHJCFGNAEBTOMG-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447918
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]aniline
CID 118428371
3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline
CID 129273933
3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
3-dibenzofuran-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230
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-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
N-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-(2-methylphenyl)-N-(4-phenylphenyl)aniline
CID 130250362
N-(3-dibenzofuran-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063593

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline (CID 59136968) is 3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is OHJCFGNAEBTOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-3-11-38(12-4-1)40-21-25-42(26-22-40)44-29-33-47(34-30-44)55(48-35-31-45(32-36-48)43-27-23-41(24-28-43)39-13-5-2-6-14-39)49-16-9-15-46(37-49)50-18-10-19-52-51-17-7-8-20-53(51)56-54(50)52/h1-37H.
What are the key properties of 3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 715.90 g/mol, XLogP of 15.39, 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,N-bis[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 59136968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).