2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine

C34H23ClN2S2 — CID 164802555

IUPAC2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine
SMILESClc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1csc2sc3ccccc3c12
InChIInChI=1S/C34H23ClN2S2/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/h1-23H
InChIKeySACZCRULUHJYLY-UHFFFAOYSA-N
MW559.16 g/mol
LogP11.71
Rot. Bonds6

About 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine

2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine (PubChem CID 164802555) has the molecular formula C34H23ClN2S2 and a molecular weight of 559.16 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.

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
PubChem CID164802555
Molecular FormulaC34H23ClN2S2
Molecular Weight559.16 g/mol
Exact Mass558.10
IUPAC Name2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine
SMILESClc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1csc2sc3ccccc3c12
InChIInChI=1S/C34H23ClN2S2/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/h1-23H
InChIKeySACZCRULUHJYLY-UHFFFAOYSA-N
XLogP11.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.16
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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;N-(2,3-dichlorophenyl)-N-phenylthieno[2,3-b][1]benzothiol-1-amine;N-phenylaniline
CID 165105725
2-chloro-3-N-(4-methylbenzo[e][1]benzothiol-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 165043340
2-chloro-3-N-(6-methyl-1-benzothiophen-3-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 161400341
N-(4-tert-butylphenyl)-N-(2,3-dichlorophenyl)-[1]benzothiolo[2,3-g][1]benzothiol-3-amine
CID 168794629
9-chloro-N,N-diphenyldibenzothiophen-4-amine
CID 139422397
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
9-chloro-N-dibenzothiophen-4-yl-N-phenyl-[1]benzothiolo[2,3-b][1]benzothiol-3-amine
CID 137465757
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-(4-dibenzothiophen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168790141
N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 167087062
N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine
CID 134198312
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 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine?
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 (CID 164802555) is 2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine.
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?
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 is Clc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1csc2sc3ccccc3c12.
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?
The InChIKey is SACZCRULUHJYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23ClN2S2/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/h1-23H.
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?
2-chloro-1-N,1-N,3-N-triphenyl-3-N-thieno[2,3-b][1]benzothiol-1-ylbenzene-1,3-diamine has a molecular weight of 559.16 g/mol, XLogP of 11.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 164802555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).