N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline

C54H36N2O — CID 118086600

IUPACN-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-3-16-38(17-4-1)42-20-7-11-25-48(42)55(41-18-5-2-6-19-41)49-26-12-8-21-43(49)39-32-30-37(31-33-39)40-34-35-51-47(36-40)44-22-9-13-27-50(44)56(51)52-28-15-24-46-45-23-10-14-29-53(45)57-54(46)52/h1-36H
InChIKeyHOOACYPFTBCSOA-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

About N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline

N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline (PubChem CID 118086600) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline.

Molecular Properties

Compound NameN-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
PubChem CID118086600
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC NameN-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-3-16-38(17-4-1)42-20-7-11-25-48(42)55(41-18-5-2-6-19-41)49-26-12-8-21-43(49)39-32-30-37(31-33-39)40-34-35-51-47(36-40)44-22-9-13-27-50(44)56(51)52-28-15-24-46-45-23-10-14-29-53(45)57-54(46)52/h1-36H
InChIKeyHOOACYPFTBCSOA-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-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline 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-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100
N-phenyl-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 164724953
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139545483
N-[2-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544620
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544595
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 139545263
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline;N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 165090747
3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(3-phenylphenyl)aniline;N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-3-(3-phenylphenyl)aniline
CID 157078470
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline
CID 139544518
2-(2-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline
CID 139544521
N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544729
3-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline;N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(3-phenylphenyl)aniline;N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline;N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(3-phenylphenyl)aniline
CID 160833679

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline?
The IUPAC name of N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline (CID 118086600) is N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline.
What is the SMILES notation for N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline?
The canonical SMILES for N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline is c1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline?
The InChIKey is HOOACYPFTBCSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-3-16-38(17-4-1)42-20-7-11-25-48(42)55(41-18-5-2-6-19-41)49-26-12-8-21-43(49)39-32-30-37(31-33-39)40-34-35-51-47(36-40)44-22-9-13-27-50(44)56(51)52-28-15-24-46-45-23-10-14-29-53(45)57-54(46)52/h1-36H.
What are the key properties of N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline?
N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline 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-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline is sourced from PubChem (CID 118086600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).