2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline

C68H47Cl3N4S4 — CID 165105725

IUPAC2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline
SMILESClc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1csc2sc3ccccc3c12.Clc1cccc(N(c2ccccc2)c2csc3sc4ccccc4c23)c1Cl.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C34H23ClN2S2.C22H13Cl2NS2.C12H11N/c35-33-28(36(24-13-4-1-5-14-24)25-15-6-2-7-16-25)20-12-21-29(33)37(26-17-8-3-9-18-26)30-23-38-34-32(30)27-19-10-11-22-31(27)39-34;23-16-10-6-11-17(21(16)24)25(14-7-2-1-3-8-14)18-13-26-22-20(18)15-9-4-5-12-19(15)27-22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-23H;1-13H;1-10,13H
InChIKeyZBYQPFUNPBERIO-UHFFFAOYSA-N
MW1154.78 g/mol
LogP24.03
Rot. Bonds11

About 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline

2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline (PubChem CID 165105725) has the molecular formula C68H47Cl3N4S4 and a molecular weight of 1154.78 g/mol. Its IUPAC name is 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline.

Molecular Properties

Compound Name2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline
PubChem CID165105725
Molecular FormulaC68H47Cl3N4S4
Molecular Weight1154.78 g/mol
Exact Mass1152.17
IUPAC Name2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline
SMILESClc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1csc2sc3ccccc3c12.Clc1cccc(N(c2ccccc2)c2csc3sc4ccccc4c23)c1Cl.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C34H23ClN2S2.C22H13Cl2NS2.C12H11N/c35-33-28(36(24-13-4-1-5-14-24)25-15-6-2-7-16-25)20-12-21-29(33)37(26-17-8-3-9-18-26)30-23-38-34-32(30)27-19-10-11-22-31(27)39-34;23-16-10-6-11-17(21(16)24)25(14-7-2-1-3-8-14)18-13-26-22-20(18)15-9-4-5-12-19(15)27-22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-23H;1-13H;1-10,13H
InChIKeyZBYQPFUNPBERIO-UHFFFAOYSA-N
XLogP24.03
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001154.78
LogP ≤ 524.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline with MolForge

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Related Compounds

2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine
CID 164802555
N-(4-tert-butylphenyl)-N-(2,3-dichlorophenyl)-[1]benzothiolo[2,3-g][1]benzothiol-3-amine
CID 168794629
2-chloro-3-N-naphtho[1,2-b][1]benzofuran-6-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-6-amine;N-phenylaniline
CID 165032581
2-chloro-3-N-(6-methyl-1-benzothiophen-3-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 161400341
2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
CID 167288755
2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline
CID 163574767
9-chloro-N,N-diphenyldibenzothiophen-4-amine
CID 139422397
8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine
CID 131979973
2-chloro-3-N-(4-methylbenzo[e][1]benzothiol-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 165043340
3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 118220081
5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine
CID 129194520
1-N-dibenzothiophen-2-yl-3-N,3-N-diphenylbenzene-1,3-diamine
CID 122666295

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline?
The IUPAC name of 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline (CID 165105725) is 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline.
What is the SMILES notation for 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline?
The canonical SMILES for 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline is Clc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1csc2sc3ccccc3c12.Clc1cccc(N(c2ccccc2)c2csc3sc4ccccc4c23)c1Cl.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline?
The InChIKey is ZBYQPFUNPBERIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23ClN2S2.C22H13Cl2NS2.C12H11N/c35-33-28(36(24-13-4-1-5-14-24)25-15-6-2-7-16-25)20-12-21-29(33)37(26-17-8-3-9-18-26)30-23-38-34-32(30)27-19-10-11-22-31(27)39-34;23-16-10-6-11-17(21(16)24)25(14-7-2-1-3-8-14)18-13-26-22-20(18)15-9-4-5-12-19(15)27-22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-23H;1-13H;1-10,13H.
What are the key properties of 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline?
2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline has a molecular weight of 1154.78 g/mol, XLogP of 24.03, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline is sourced from PubChem (CID 165105725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).