4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline

C55H37NO2 — CID 138708428

IUPAC4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCc1cc(-c2cccc3c2oc2ccccc23)ccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C55H37NO2/c1-36-35-42(46-16-10-18-50-48-14-6-8-20-53(48)58-55(46)50)29-34-51(36)56(43-30-25-40(26-31-43)39-23-21-38(22-24-39)37-11-3-2-4-12-37)44-32-27-41(28-33-44)45-15-9-17-49-47-13-5-7-19-52(47)57-54(45)49/h2-35H,1H3
InChIKeyRKHXHVMEGPQVCW-UHFFFAOYSA-N
MW743.91 g/mol
LogP15.93
Rot. Bonds7

About 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline

4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 138708428) has the molecular formula C55H37NO2 and a molecular weight of 743.91 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID138708428
Molecular FormulaC55H37NO2
Molecular Weight743.91 g/mol
Exact Mass743.28
IUPAC Name4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCc1cc(-c2cccc3c2oc2ccccc23)ccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C55H37NO2/c1-36-35-42(46-16-10-18-50-48-14-6-8-20-53(48)58-55(46)50)29-34-51(36)56(43-30-25-40(26-31-43)39-23-21-38(22-24-39)37-11-3-2-4-12-37)44-32-27-41(28-33-44)45-15-9-17-49-47-13-5-7-19-52(47)57-54(45)49/h2-35H,1H3
InChIKeyRKHXHVMEGPQVCW-UHFFFAOYSA-N
XLogP15.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119854
N-[4-[4-(4-dibenzofuran-4-yl-N-[2-methyl-6-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-6-(4-phenylphenyl)aniline
CID 121323023
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methyl-4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119848
N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
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;N-(3-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 159464341
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
4-[4-(4-dibenzofuran-2-yl-N-(2-dibenzofuran-4-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-2-methylaniline
CID 121323235
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
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
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
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 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 138708428) is 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline is Cc1cc(-c2cccc3c2oc2ccccc23)ccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is RKHXHVMEGPQVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO2/c1-36-35-42(46-16-10-18-50-48-14-6-8-20-53(48)58-55(46)50)29-34-51(36)56(43-30-25-40(26-31-43)39-23-21-38(22-24-39)37-11-3-2-4-12-37)44-32-27-41(28-33-44)45-15-9-17-49-47-13-5-7-19-52(47)57-54(45)49/h2-35H,1H3.
What are the key properties of 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline?
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 743.91 g/mol, XLogP of 15.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 138708428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).