9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine

C32H18ClNS3 — CID 137465757

IUPAC9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine
SMILESClc1ccc2sc3sc4cc(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc4c3c2c1
InChIInChI=1S/C32H18ClNS3/c33-19-13-16-28-25(17-19)30-24-15-14-21(18-29(24)37-32(30)36-28)34(20-7-2-1-3-8-20)26-11-6-10-23-22-9-4-5-12-27(22)35-31(23)26/h1-18H
InChIKeyLZBYQVFSSQVWKN-UHFFFAOYSA-N
MW548.16 g/mol
LogP11.76
Rot. Bonds3

About 9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine

9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine (PubChem CID 137465757) has the molecular formula C32H18ClNS3 and a molecular weight of 548.16 g/mol. Its IUPAC name is 9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine.

Molecular Properties

Compound Name9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine
PubChem CID137465757
Molecular FormulaC32H18ClNS3
Molecular Weight548.16 g/mol
Exact Mass547.03
IUPAC Name9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine
SMILESClc1ccc2sc3sc4cc(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc4c3c2c1
InChIInChI=1S/C32H18ClNS3/c33-19-13-16-28-25(17-19)30-24-15-14-21(18-29(24)37-32(30)36-28)34(20-7-2-1-3-8-20)26-11-6-10-23-22-9-4-5-12-27(22)35-31(23)26/h1-18H
InChIKeyLZBYQVFSSQVWKN-UHFFFAOYSA-N
XLogP11.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.16
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine with MolForge

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Related Compounds

N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine
CID 134198312
9-chloro-N-phenyl-N-(9-phenyldibenzothiophen-3-yl)-[1]benzothiolo[2,3-b][1]benzothiol-3-amine
CID 137471683
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004
N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170040173
2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 161330703
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159690784
7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine
CID 155773213
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine
CID 146550689
N-chrysen-2-yl-N-phenyldibenzothiophen-4-amine
CID 170130330
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 155773114
6-N-(4-chlorodibenzothiophen-1-yl)-2-N,2-N,6-N-triphenyldibenzothiophene-2,6-diamine
CID 146551054

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine?
The IUPAC name of 9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine (CID 137465757) is 9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine.
What is the SMILES notation for 9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine?
The canonical SMILES for 9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine is Clc1ccc2sc3sc4cc(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc4c3c2c1.
What is the InChIKey of 9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine?
The InChIKey is LZBYQVFSSQVWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18ClNS3/c33-19-13-16-28-25(17-19)30-24-15-14-21(18-29(24)37-32(30)36-28)34(20-7-2-1-3-8-20)26-11-6-10-23-22-9-4-5-12-27(22)35-31(23)26/h1-18H.
What are the key properties of 9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine?
9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine has a molecular weight of 548.16 g/mol, XLogP of 11.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine is sourced from PubChem (CID 137465757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).