N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline

C54H36N2O — CID 164822828

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccccc2-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C54H36N2O/c1-2-15-39(16-3-1)42-17-4-9-24-49(42)55(52-27-12-7-20-45(52)47-22-14-23-48-46-21-8-13-28-53(46)57-54(47)48)40-33-29-37(30-34-40)38-31-35-41(36-32-38)56-50-25-10-5-18-43(50)44-19-6-11-26-51(44)56/h1-36H
InChIKeyCUUXDYMOTSPXOB-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline (PubChem CID 164822828) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
PubChem CID164822828
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccccc2-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C54H36N2O/c1-2-15-39(16-3-1)42-17-4-9-24-49(42)55(52-27-12-7-20-45(52)47-22-14-23-48-46-21-8-13-28-53(46)57-54(47)48)40-33-29-37(30-34-40)38-31-35-41(36-32-38)56-50-25-10-5-18-43(50)44-19-6-11-26-51(44)56/h1-36H
InChIKeyCUUXDYMOTSPXOB-UHFFFAOYSA-N
XLogP15.15
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172502401
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544595
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172501663
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 164822786
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139545483
N-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 155649255
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline
CID 139544518
N-[2-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544620
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 153004829
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline (CID 164822828) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccccc2-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline?
The InChIKey is CUUXDYMOTSPXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-2-15-39(16-3-1)42-17-4-9-24-49(42)55(52-27-12-7-20-45(52)47-22-14-23-48-46-21-8-13-28-53(46)57-54(47)48)40-33-29-37(30-34-40)38-31-35-41(36-32-38)56-50-25-10-5-18-43(50)44-19-6-11-26-51(44)56/h1-36H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline has a molecular weight of 728.90 g/mol, XLogP of 15.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 164822828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).