4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline

C24H18Cl2N2S — CID 57157613

IUPAC4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline
SMILESNc1ccc(-c2cccc(Sc3cccc(-c4ccc(N)cc4)c3Cl)c2Cl)cc1
InChIInChI=1S/C24H18Cl2N2S/c25-23-19(15-7-11-17(27)12-8-15)3-1-5-21(23)29-22-6-2-4-20(24(22)26)16-9-13-18(28)14-10-16/h1-14H,27-28H2
InChIKeyVNAORZDZPKGMDR-UHFFFAOYSA-N
MW437.40 g/mol
LogP7.64
Rot. Bonds4

About 4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline

4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline (PubChem CID 57157613) has the molecular formula C24H18Cl2N2S and a molecular weight of 437.40 g/mol. Its IUPAC name is 4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline.

Molecular Properties

Compound Name4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline
PubChem CID57157613
Molecular FormulaC24H18Cl2N2S
Molecular Weight437.40 g/mol
Exact Mass436.06
IUPAC Name4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline
SMILESNc1ccc(-c2cccc(Sc3cccc(-c4ccc(N)cc4)c3Cl)c2Cl)cc1
InChIInChI=1S/C24H18Cl2N2S/c25-23-19(15-7-11-17(27)12-8-15)3-1-5-21(23)29-22-6-2-4-20(24(22)26)16-9-13-18(28)14-10-16/h1-14H,27-28H2
InChIKeyVNAORZDZPKGMDR-UHFFFAOYSA-N
XLogP7.64
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.40
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline?
The IUPAC name of 4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline (CID 57157613) is 4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline.
What is the SMILES notation for 4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline?
The canonical SMILES for 4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline is Nc1ccc(-c2cccc(Sc3cccc(-c4ccc(N)cc4)c3Cl)c2Cl)cc1.
What is the InChIKey of 4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline?
The InChIKey is VNAORZDZPKGMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2S/c25-23-19(15-7-11-17(27)12-8-15)3-1-5-21(23)29-22-6-2-4-20(24(22)26)16-9-13-18(28)14-10-16/h1-14H,27-28H2.
What are the key properties of 4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline?
4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline has a molecular weight of 437.40 g/mol, XLogP of 7.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-aminophenyl)-2-chlorophenyl]sulfanyl-2-chlorophenyl]aniline is sourced from PubChem (CID 57157613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).