N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline

C52H33NOS — CID 170040555

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5sc6ccccc6c5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C52H33NOS/c1-2-12-34(13-3-1)37-14-10-15-40(32-37)53(38-28-24-35(25-29-38)41-20-11-21-45-43-17-6-8-22-48(43)54-52(41)45)39-30-26-36(27-31-39)47-33-50-51(44-18-5-4-16-42(44)47)46-19-7-9-23-49(46)55-50/h1-33H
InChIKeyOQPOSZKUHBQNJW-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline (PubChem CID 170040555) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline
PubChem CID170040555
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5sc6ccccc6c5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C52H33NOS/c1-2-12-34(13-3-1)37-14-10-15-40(32-37)53(38-28-24-35(25-29-38)41-20-11-21-45-43-17-6-8-22-48(43)54-52(41)45)39-30-26-36(27-31-39)47-33-50-51(44-18-5-4-16-42(44)47)46-19-7-9-23-49(46)55-50/h1-33H
InChIKeyOQPOSZKUHBQNJW-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-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-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170039350
N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428236
N-(4-dibenzofuran-4-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-4-yl-N-phenylaniline
CID 170040489
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428237
6-N,18-N-bis(4-dibenzofuran-4-ylphenyl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 162475631
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039767
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 170676864
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 167324054
N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 168767541
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline (CID 170040555) is N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline is c1ccc(-c2cccc(N(c3ccc(-c4cc5sc6ccccc6c5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline?
The InChIKey is OQPOSZKUHBQNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-12-34(13-3-1)37-14-10-15-40(32-37)53(38-28-24-35(25-29-38)41-20-11-21-45-43-17-6-8-22-48(43)54-52(41)45)39-30-26-36(27-31-39)47-33-50-51(44-18-5-4-16-42(44)47)46-19-7-9-23-49(46)55-50/h1-33H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-3-phenylaniline is sourced from PubChem (CID 170040555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).