3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline

C54H33NO3 — CID 118428337

IUPAC3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c1
InChIInChI=1S/C54H33NO3/c1-4-16-49-43(13-1)46-31-37(21-26-52(46)56-49)34-19-24-40(25-20-34)55(41-11-7-9-35(29-41)38-22-27-53-47(32-38)44-14-2-5-17-50(44)57-53)42-12-8-10-36(30-42)39-23-28-54-48(33-39)45-15-3-6-18-51(45)58-54/h1-33H
InChIKeyUCPGKVLUFJADPB-UHFFFAOYSA-N
MW743.86 g/mol
LogP15.86
Rot. Bonds6

About 3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline

3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline (PubChem CID 118428337) has the molecular formula C54H33NO3 and a molecular weight of 743.86 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
PubChem CID118428337
Molecular FormulaC54H33NO3
Molecular Weight743.86 g/mol
Exact Mass743.25
IUPAC Name3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c1
InChIInChI=1S/C54H33NO3/c1-4-16-49-43(13-1)46-31-37(21-26-52(46)56-49)34-19-24-40(25-20-34)55(41-11-7-9-35(29-41)38-22-27-53-47(32-38)44-14-2-5-17-50(44)57-53)42-12-8-10-36(30-42)39-23-28-54-48(33-39)45-15-3-6-18-51(45)58-54/h1-33H
InChIKeyUCPGKVLUFJADPB-UHFFFAOYSA-N
XLogP15.86
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.86
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 118214693
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline?
The IUPAC name of 3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline (CID 118428337) is 3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline.
What is the SMILES notation for 3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline?
The canonical SMILES for 3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline is c1cc(-c2ccc3oc4ccccc4c3c2)cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c1.
What is the InChIKey of 3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline?
The InChIKey is UCPGKVLUFJADPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO3/c1-4-16-49-43(13-1)46-31-37(21-26-52(46)56-49)34-19-24-40(25-20-34)55(41-11-7-9-35(29-41)38-22-27-53-47(32-38)44-14-2-5-17-50(44)57-53)42-12-8-10-36(30-42)39-23-28-54-48(33-39)45-15-3-6-18-51(45)58-54/h1-33H.
What are the key properties of 3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline?
3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline has a molecular weight of 743.86 g/mol, XLogP of 15.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline is sourced from PubChem (CID 118428337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).