bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+)

C32H36Cl2N8O4PtS4 — CID 141477274

IUPACbis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+)
SMILESCS/C([S-])=N/N=C1/C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc21.CS/C([S-])=N/N=C1/C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc21.[Pt+2]
InChIInChI=1S/2C16H19ClN4O2S2.Pt/c2*1-25-16(24)19-18-14-12-10-11(17)2-3-13(12)21(15(14)22)5-4-20-6-8-23-9-7-20;/h2*2-3,10H,4-9H2,1H3,(H,19,24);/q;;+2/p-2/b2*18-14+;
InChIKeyIOBCMNDMLCLVLC-UNNDGHNTSA-L
MW990.94 g/mol
LogP3.98
Rot. Bonds8

About bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+)

bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+) (PubChem CID 141477274) has the molecular formula C32H36Cl2N8O4PtS4 and a molecular weight of 990.94 g/mol. Its IUPAC name is bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+).

Molecular Properties

Compound Namebis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+)
PubChem CID141477274
Molecular FormulaC32H36Cl2N8O4PtS4
Molecular Weight990.94 g/mol
Exact Mass989.08
IUPAC Namebis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+)
SMILESCS/C([S-])=N/N=C1/C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc21.CS/C([S-])=N/N=C1/C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc21.[Pt+2]
InChIInChI=1S/2C16H19ClN4O2S2.Pt/c2*1-25-16(24)19-18-14-12-10-11(17)2-3-13(12)21(15(14)22)5-4-20-6-8-23-9-7-20;/h2*2-3,10H,4-9H2,1H3,(H,19,24);/q;;+2/p-2/b2*18-14+;
InChIKeyIOBCMNDMLCLVLC-UNNDGHNTSA-L
XLogP3.98
TPSA115.00 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.94
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+)?
The IUPAC name of bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+) (CID 141477274) is bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+).
What is the SMILES notation for bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+)?
The canonical SMILES for bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+) is CS/C([S-])=N/N=C1/C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc21.CS/C([S-])=N/N=C1/C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc21.[Pt+2].
What is the InChIKey of bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+)?
The InChIKey is IOBCMNDMLCLVLC-UNNDGHNTSA-L. The full InChI is InChI=1S/2C16H19ClN4O2S2.Pt/c2*1-25-16(24)19-18-14-12-10-11(17)2-3-13(12)21(15(14)22)5-4-20-6-8-23-9-7-20;/h2*2-3,10H,4-9H2,1H3,(H,19,24);/q;;+2/p-2/b2*18-14+;.
What are the key properties of bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+)?
bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+) has a molecular weight of 990.94 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis((E)-[(E)-[5-chloro-1-(2-morpholin-4-ylethyl)-2-oxoindol-3-ylidene]hydrazinylidene]-methylsulfanyl-sulfidomethane);platinum(2+) is sourced from PubChem (CID 141477274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).