3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline

C52H33NS2 — CID 170040977

IUPAC3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccc6ccccc6c45)cc3)c3cccc(-c4cccc5sc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C52H33NS2/c1-2-10-34(11-3-1)35-20-26-40(27-21-35)53(42-14-8-13-39(32-42)44-17-9-19-48-52(44)45-16-6-7-18-47(45)54-48)41-28-22-36(23-29-41)38-24-30-46-50(33-38)55-49-31-25-37-12-4-5-15-43(37)51(46)49/h1-33H
InChIKeyDGBLNJQLINXZDX-UHFFFAOYSA-N
MW735.98 g/mol
LogP16.05
Rot. Bonds6

About 3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline

3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 170040977) has the molecular formula C52H33NS2 and a molecular weight of 735.98 g/mol. Its IUPAC name is 3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID170040977
Molecular FormulaC52H33NS2
Molecular Weight735.98 g/mol
Exact Mass735.21
IUPAC Name3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccc6ccccc6c45)cc3)c3cccc(-c4cccc5sc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C52H33NS2/c1-2-10-34(11-3-1)35-20-26-40(27-21-35)53(42-14-8-13-39(32-42)44-17-9-19-48-52(44)45-16-6-7-18-47(45)54-48)41-28-22-36(23-29-41)38-24-30-46-50(33-38)55-49-31-25-37-12-4-5-15-43(37)51(46)49/h1-33H
InChIKeyDGBLNJQLINXZDX-UHFFFAOYSA-N
XLogP16.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.98
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)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-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170037052
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170038025
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170037373
N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-2-yl-N-phenylaniline
CID 170036987
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-2-amine
CID 167184166
N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170038826
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037216
N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767282
3-naphtho[2,1-b][1]benzothiol-8-yl-N,N-bis(4-phenylphenyl)aniline
CID 121323447
N-(3-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-N,8-diphenyldibenzothiophen-2-amine
CID 170050563
N-phenyl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037124

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline (CID 170040977) is 3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccc6ccccc6c45)cc3)c3cccc(-c4cccc5sc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of 3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is DGBLNJQLINXZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS2/c1-2-10-34(11-3-1)35-20-26-40(27-21-35)53(42-14-8-13-39(32-42)44-17-9-19-48-52(44)45-16-6-7-18-47(45)54-48)41-28-22-36(23-29-41)38-24-30-46-50(33-38)55-49-31-25-37-12-4-5-15-43(37)51(46)49/h1-33H.
What are the key properties of 3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline?
3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 735.98 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170040977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).