N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline

C54H33NO2S — CID 118428236

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C54H33NO2S/c1-4-19-49-43(12-1)46-17-8-15-41(53(46)56-49)34-22-27-38(28-23-34)55(39-29-24-35(25-30-39)42-16-9-18-47-44-13-2-5-20-50(44)57-54(42)47)40-11-7-10-36(32-40)37-26-31-52-48(33-37)45-14-3-6-21-51(45)58-52/h1-33H
InChIKeyIBNSRXWAXZKPLV-UHFFFAOYSA-N
MW759.93 g/mol
LogP16.32
Rot. Bonds6

About N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline

N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline (PubChem CID 118428236) has the molecular formula C54H33NO2S and a molecular weight of 759.93 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
PubChem CID118428236
Molecular FormulaC54H33NO2S
Molecular Weight759.93 g/mol
Exact Mass759.22
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C54H33NO2S/c1-4-19-49-43(12-1)46-17-8-15-41(53(46)56-49)34-22-27-38(28-23-34)55(39-29-24-35(25-30-39)42-16-9-18-47-44-13-2-5-20-50(44)57-54(42)47)40-11-7-10-36(32-40)37-26-31-52-48(33-37)45-14-3-6-21-51(45)58-52/h1-33H
InChIKeyIBNSRXWAXZKPLV-UHFFFAOYSA-N
XLogP16.32
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.93
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-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

N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428237
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 168767541
N-(4-dibenzothiophen-2-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804879
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine
CID 157196864
8-(6-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174244859
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline
CID 170040555
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 167326462
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170039350
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 167324054
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 164975390

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline (CID 118428236) is N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline is c1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline?
The InChIKey is IBNSRXWAXZKPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2S/c1-4-19-49-43(12-1)46-17-8-15-41(53(46)56-49)34-22-27-38(28-23-34)55(39-29-24-35(25-30-39)42-16-9-18-47-44-13-2-5-20-50(44)57-54(42)47)40-11-7-10-36(32-40)37-26-31-52-48(33-37)45-14-3-6-21-51(45)58-52/h1-33H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline?
N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline has a molecular weight of 759.93 g/mol, XLogP of 16.32, 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-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline is sourced from PubChem (CID 118428236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).