N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline

C54H33NOS2 — CID 118428274

IUPACN-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)c1
InChIInChI=1S/C54H33NOS2/c1-4-16-49-43(11-1)47-32-37(23-29-50(47)56-49)34-19-25-39(26-20-34)55(40-27-21-35(22-28-40)42-14-8-15-46-44-12-2-6-18-52(44)58-54(42)46)41-10-7-9-36(31-41)38-24-30-53-48(33-38)45-13-3-5-17-51(45)57-53/h1-33H
InChIKeyGXXZVYGPKFNQTQ-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.79
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline

N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline (PubChem CID 118428274) has the molecular formula C54H33NOS2 and a molecular weight of 776.00 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
PubChem CID118428274
Molecular FormulaC54H33NOS2
Molecular Weight776.00 g/mol
Exact Mass775.20
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)c1
InChIInChI=1S/C54H33NOS2/c1-4-16-49-43(11-1)47-32-37(23-29-50(47)56-49)34-19-25-39(26-20-34)55(40-27-21-35(22-28-40)42-14-8-15-46-44-12-2-6-18-52(44)58-54(42)46)41-10-7-9-36(31-41)38-24-30-53-48(33-38)45-13-3-5-17-51(45)57-53/h1-33H
InChIKeyGXXZVYGPKFNQTQ-UHFFFAOYSA-N
XLogP16.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline 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

3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-(3-dibenzothiophen-4-ylphenyl)aniline
CID 118428359
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535193
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170535112
1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605120
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428237
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline
CID 148653101
N,N-bis(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine;N,N-bis(4-dibenzothiophen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-3-amine
CID 165033470
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3-phenylaniline
CID 170031800
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline (CID 118428274) is N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline is c1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)c1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline?
The InChIKey is GXXZVYGPKFNQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NOS2/c1-4-16-49-43(11-1)47-32-37(23-29-50(47)56-49)34-19-25-39(26-20-34)55(40-27-21-35(22-28-40)42-14-8-15-46-44-12-2-6-18-52(44)58-54(42)46)41-10-7-9-36(31-41)38-24-30-53-48(33-38)45-13-3-5-17-51(45)57-53/h1-33H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline?
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline has a molecular weight of 776.00 g/mol, XLogP of 16.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline is sourced from PubChem (CID 118428274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).