N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline

C54H36N2O — CID 155398018

IUPACN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C54H36N2O/c1-2-14-37(15-3-1)44-18-4-5-19-45(44)39-16-12-17-43(36-39)55(40-30-28-38(29-31-40)46-23-13-27-53-54(46)49-22-8-11-26-52(49)57-53)41-32-34-42(35-33-41)56-50-24-9-6-20-47(50)48-21-7-10-25-51(48)56/h1-36H
InChIKeyKVDKAXYTOLIMKI-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline

N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline (PubChem CID 155398018) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline
PubChem CID155398018
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C54H36N2O/c1-2-14-37(15-3-1)44-18-4-5-19-45(44)39-16-12-17-43(36-39)55(40-30-28-38(29-31-40)46-23-13-27-53-54(46)49-22-8-11-26-52(49)57-53)41-32-34-42(35-33-41)56-50-24-9-6-20-47(50)48-21-7-10-25-51(48)56/h1-36H
InChIKeyKVDKAXYTOLIMKI-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-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155649267
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 155398157
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline
CID 155398745
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398519
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398444
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 155398161
3-carbazol-9-yl-N-(4-dibenzofuran-1-ylphenyl)-N-phenylaniline
CID 155397910
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649338
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 155398231

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline (CID 155398018) is N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2cccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline?
The InChIKey is KVDKAXYTOLIMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-2-14-37(15-3-1)44-18-4-5-19-45(44)39-16-12-17-43(36-39)55(40-30-28-38(29-31-40)46-23-13-27-53-54(46)49-22-8-11-26-52(49)57-53)41-32-34-42(35-33-41)56-50-24-9-6-20-47(50)48-21-7-10-25-51(48)56/h1-36H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline?
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline 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-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline is sourced from PubChem (CID 155398018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).