(sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-))

C48H40Cl6N2P2Pd2S2 — CID 11040497

IUPAC(sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-))
SMILESCl[Pd-](Cl)Cl.Cl[Pd-](Cl)Cl.[N-]=S=[N+]=S.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C24H20P.6ClH.N2S2.2Pd/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;;;;;1-4-2-3;;/h2*1-20H;6*1H;;;/q2*+1;;;;;;;;2*+2/p-6
InChIKeySSYDEKIAFBSTCQ-UHFFFAOYSA-H
MW1196.50 g/mol
LogP12.55
Rot. Bonds8

About (sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-))

(sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-)) (PubChem CID 11040497) has the molecular formula C48H40Cl6N2P2Pd2S2 and a molecular weight of 1196.50 g/mol. Its IUPAC name is (sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-)).

Molecular Properties

Compound Name(sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-))
PubChem CID11040497
Molecular FormulaC48H40Cl6N2P2Pd2S2
Molecular Weight1196.50 g/mol
Exact Mass1191.83
IUPAC Name(sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-))
SMILESCl[Pd-](Cl)Cl.Cl[Pd-](Cl)Cl.[N-]=S=[N+]=S.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C24H20P.6ClH.N2S2.2Pd/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;;;;;1-4-2-3;;/h2*1-20H;6*1H;;;/q2*+1;;;;;;;;2*+2/p-6
InChIKeySSYDEKIAFBSTCQ-UHFFFAOYSA-H
XLogP12.55
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001196.50
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tetraphenylphosphanium;trifluorophosphane
CID 175419552
palladium;tetraphenylphosphanium
CID 76575044
dichlororuthenium;tris(tetraphenylphosphanium)
CID 173166250
tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
CID 139134309
tetraphenylphosphanium isocyanate
CID 23311576
hydrogen borate;bis(tetraphenylphosphanium)
CID 174383886
(4-chlorophenyl)-triphenylphosphanium;silicic acid
CID 88685477
(4-phenoxyphenyl)-triphenylphosphanium
CID 102105381
[4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium
CID 134915224
triphenyl-(4-propan-2-ylphenyl)phosphanium chloride
CID 157172125
[4-(bromomethyl)phenyl]-triphenylphosphanium
CID 102127372
bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride
CID 139036724

Frequently Asked Questions

What is the IUPAC name of (sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-))?
The IUPAC name of (sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-)) (CID 11040497) is (sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-)).
What is the SMILES notation for (sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-))?
The canonical SMILES for (sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-)) is Cl[Pd-](Cl)Cl.Cl[Pd-](Cl)Cl.[N-]=S=[N+]=S.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-))?
The InChIKey is SSYDEKIAFBSTCQ-UHFFFAOYSA-H. The full InChI is InChI=1S/2C24H20P.6ClH.N2S2.2Pd/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;;;;;1-4-2-3;;/h2*1-20H;6*1H;;;/q2*+1;;;;;;;;2*+2/p-6.
What are the key properties of (sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-))?
(sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-)) has a molecular weight of 1196.50 g/mol, XLogP of 12.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfanylideneazaniumylidene-λ4-sulfanylidene)azanide;bis(tetraphenylphosphanium);bis(trichloropalladium(1-)) is sourced from PubChem (CID 11040497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).