N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline

C54H36N2O — CID 153315084

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C54H36N2O/c1-2-15-38(16-3-1)43-19-4-9-24-49(43)55(50-25-10-5-20-44(50)40-31-34-48-47-23-8-13-28-53(47)57-54(48)36-40)41-32-29-37(30-33-41)39-17-14-18-42(35-39)56-51-26-11-6-21-45(51)46-22-7-12-27-52(46)56/h1-36H
InChIKeyJVDUJRNUFPHFFR-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline (PubChem CID 153315084) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline
PubChem CID153315084
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C54H36N2O/c1-2-15-38(16-3-1)43-19-4-9-24-49(43)55(50-25-10-5-20-44(50)40-31-34-48-47-23-8-13-28-53(47)57-54(48)36-40)41-32-29-37(30-33-41)39-17-14-18-42(35-39)56-51-26-11-6-21-45(51)46-22-7-12-27-52(46)56/h1-36H
InChIKeyJVDUJRNUFPHFFR-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-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[2-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315098
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[2-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314942
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 149242744
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[4-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315203
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline
CID 153314848
N-(3-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 153315196
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-N-phenylaniline
CID 153314587
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
CID 153314728
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[2-(2-phenylphenyl)phenyl]aniline
CID 153314987
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(2-naphthalen-1-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenylphenyl)aniline
CID 158595337
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153314933
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314660

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline (CID 153315084) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline?
The InChIKey is JVDUJRNUFPHFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-2-15-38(16-3-1)43-19-4-9-24-49(43)55(50-25-10-5-20-44(50)40-31-34-48-47-23-8-13-28-53(47)57-54(48)36-40)41-32-29-37(30-33-41)39-17-14-18-42(35-39)56-51-26-11-6-21-45(51)46-22-7-12-27-52(46)56/h1-36H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-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-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 153315084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).