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

C54H36N2O — CID 153314590

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c2)cc1
InChIInChI=1S/C54H36N2O/c1-2-14-37(15-3-1)39-16-12-18-43(34-39)55(44-19-13-17-40(35-44)41-30-33-49-48-23-7-11-27-53(48)57-54(49)36-41)42-31-28-38(29-32-42)45-20-4-8-24-50(45)56-51-25-9-5-21-46(51)47-22-6-10-26-52(47)56/h1-36H
InChIKeyFJQATJBPLKMFMJ-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

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

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline (PubChem CID 153314590) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline
PubChem CID153314590
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c2)cc1
InChIInChI=1S/C54H36N2O/c1-2-14-37(15-3-1)39-16-12-18-43(34-39)55(44-19-13-17-40(35-44)41-30-33-49-48-23-7-11-27-53(48)57-54(49)36-41)42-31-28-38(29-32-42)45-20-4-8-24-50(45)56-51-25-9-5-21-46(51)47-22-6-10-26-52(47)56/h1-36H
InChIKeyFJQATJBPLKMFMJ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 153314841
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649338
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 142416213
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314732
3-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544982
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 153314748
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline
CID 153314946
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544966
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline
CID 139544656
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 153190885
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline (CID 153314590) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline is c1ccc(-c2cccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline?
The InChIKey is FJQATJBPLKMFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-2-14-37(15-3-1)39-16-12-18-43(34-39)55(44-19-13-17-40(35-44)41-30-33-49-48-23-7-11-27-53(48)57-54(49)36-41)42-31-28-38(29-32-42)45-20-4-8-24-50(45)56-51-25-9-5-21-46(51)47-22-6-10-26-52(47)56/h1-36H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-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-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline is sourced from PubChem (CID 153314590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).