N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline

C54H35N3O — CID 58510642

IUPACN,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
SMILESc1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cccc12
InChIInChI=1S/C54H35N3O/c1-6-19-49-43(12-1)44-13-2-7-20-50(44)56(49)40-32-28-38(29-33-40)55(37-26-24-36(25-27-37)42-17-11-18-48-47-16-5-10-23-53(47)58-54(42)48)39-30-34-41(35-31-39)57-51-21-8-3-14-45(51)46-15-4-9-22-52(46)57/h1-35H
InChIKeyPDHMDQFAFFCPHQ-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.92
Rot. Bonds6

About N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline

N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline (PubChem CID 58510642) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline.

Molecular Properties

Compound NameN,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
PubChem CID58510642
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC NameN,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
SMILESc1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cccc12
InChIInChI=1S/C54H35N3O/c1-6-19-49-43(12-1)44-13-2-7-20-50(44)56(49)40-32-28-38(29-33-40)55(37-26-24-36(25-27-37)42-17-11-18-48-47-16-5-10-23-53(47)58-54(42)48)39-30-34-41(35-31-39)57-51-21-8-3-14-45(51)46-15-4-9-22-52(46)57/h1-35H
InChIKeyPDHMDQFAFFCPHQ-UHFFFAOYSA-N
XLogP14.92
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline 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

4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde
CID 58568911
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole
CID 159691144
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 153004829
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-9-[2-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164971651
N-(4-carbazol-9-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804257
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 164822828
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 170926661

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline?
The IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline (CID 58510642) is N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline.
What is the SMILES notation for N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline?
The canonical SMILES for N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline is c1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cccc12.
What is the InChIKey of N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline?
The InChIKey is PDHMDQFAFFCPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-6-19-49-43(12-1)44-13-2-7-20-50(44)56(49)40-32-28-38(29-33-40)55(37-26-24-36(25-27-37)42-17-11-18-48-47-16-5-10-23-53(47)58-54(42)48)39-30-34-41(35-31-39)57-51-21-8-3-14-45(51)46-15-4-9-22-52(46)57/h1-35H.
What are the key properties of N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline?
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline has a molecular weight of 741.89 g/mol, XLogP of 14.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline is sourced from PubChem (CID 58510642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).