3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline

C54H37NO2 — CID 167114371

IUPAC3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
SMILESC1=CC(c2ccc(-c3ccccc3)cc2)CC=C1N(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1cccc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C54H37NO2/c1-2-11-36(12-3-1)37-23-25-38(26-24-37)39-27-31-42(32-28-39)55(43-33-29-40(30-34-43)45-17-9-19-49-47-15-4-6-21-51(47)56-53(45)49)44-14-8-13-41(35-44)46-18-10-20-50-48-16-5-7-22-52(48)57-54(46)50/h1-27,29-35,39H,28H2
InChIKeyXLGSUXSTOIIHJY-UHFFFAOYSA-N
MW731.90 g/mol
LogP15.25
Rot. Bonds7

About 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline

3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline (PubChem CID 167114371) has the molecular formula C54H37NO2 and a molecular weight of 731.90 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
PubChem CID167114371
Molecular FormulaC54H37NO2
Molecular Weight731.90 g/mol
Exact Mass731.28
IUPAC Name3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
SMILESC1=CC(c2ccc(-c3ccccc3)cc2)CC=C1N(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1cccc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C54H37NO2/c1-2-11-36(12-3-1)37-23-25-38(26-24-37)39-27-31-42(32-28-39)55(43-33-29-40(30-34-43)45-17-9-19-49-47-15-4-6-21-51(47)56-53(45)49)44-14-8-13-41(35-44)46-18-10-20-50-48-16-5-7-22-52(48)57-54(46)50/h1-27,29-35,39H,28H2
InChIKeyXLGSUXSTOIIHJY-UHFFFAOYSA-N
XLogP15.25
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;4-N,4-N-diphenyl-1-N-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158633743
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(6-phenyldibenzofuran-2-yl)aniline
CID 129311289
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
18-[4-[4-(N-dibenzofuran-4-ylanilino)cyclohexa-2,4-dien-1-yl]phenyl]-N,N-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-5-amine
CID 122677274
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,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)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
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
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline?
The IUPAC name of 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline (CID 167114371) is 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline.
What is the SMILES notation for 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline?
The canonical SMILES for 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline is C1=CC(c2ccc(-c3ccccc3)cc2)CC=C1N(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1cccc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline?
The InChIKey is XLGSUXSTOIIHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO2/c1-2-11-36(12-3-1)37-23-25-38(26-24-37)39-27-31-42(32-28-39)55(43-33-29-40(30-34-43)45-17-9-19-49-47-15-4-6-21-51(47)56-53(45)49)44-14-8-13-41(35-44)46-18-10-20-50-48-16-5-7-22-52(48)57-54(46)50/h1-27,29-35,39H,28H2.
What are the key properties of 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline?
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline has a molecular weight of 731.90 g/mol, XLogP of 15.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline is sourced from PubChem (CID 167114371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).