3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline

C54H35NO2 — CID 153447918

IUPAC3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5cccc6c5oc5ccccc56)c5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-13-36(14-4-1)38-25-29-41(30-26-38)55(42-31-27-39(28-32-42)37-15-5-2-6-16-37)43-18-11-17-40(35-43)44-33-34-48(54-52(44)49-20-8-10-24-51(49)57-54)47-22-12-21-46-45-19-7-9-23-50(45)56-53(46)47/h1-35H
InChIKeyCESPBIZEYLKYLM-UHFFFAOYSA-N
MW729.88 g/mol
LogP15.62
Rot. Bonds7

About 3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline

3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 153447918) has the molecular formula C54H35NO2 and a molecular weight of 729.88 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID153447918
Molecular FormulaC54H35NO2
Molecular Weight729.88 g/mol
Exact Mass729.27
IUPAC Name3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5cccc6c5oc5ccccc56)c5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-13-36(14-4-1)38-25-29-41(30-26-38)55(42-31-27-39(28-32-42)37-15-5-2-6-16-37)43-18-11-17-40(35-43)44-33-34-48(54-52(44)49-20-8-10-24-51(49)57-54)47-22-12-21-46-45-19-7-9-23-50(45)56-53(46)47/h1-35H
InChIKeyCESPBIZEYLKYLM-UHFFFAOYSA-N
XLogP15.62
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
3-(4-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447895
3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447932
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N-(3-dibenzofuran-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063593
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]aniline
CID 118428371
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-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 153447940
3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline
CID 129273933
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
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline (CID 153447918) is 3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5cccc6c5oc5ccccc56)c5oc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of 3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is CESPBIZEYLKYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2/c1-3-13-36(14-4-1)38-25-29-41(30-26-38)55(42-31-27-39(28-32-42)37-15-5-2-6-16-37)43-18-11-17-40(35-43)44-33-34-48(54-52(44)49-20-8-10-24-51(49)57-54)47-22-12-21-46-45-19-7-9-23-50(45)56-53(46)47/h1-35H.
What are the key properties of 3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline?
3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 729.88 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 153447918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).