bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium

C32H36O4P2PdS4-2 — CID 6395773

IUPACbis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium
SMILESCc1cccc(C)c1O[P+]([S-])([S-])Oc1c(C)cccc1C.Cc1cccc(C)c1O[P+]([S-])([S-])Oc1c(C)cccc1C.[Pd]
InChIInChI=1S/2C16H19O2PS2.Pd/c2*1-11-7-5-8-12(2)15(11)17-19(20,21)18-16-13(3)9-6-10-14(16)4;/h2*5-10H,1-4H3,(H,20,21);/p-2
InChIKeyFFHIRWQBFDHRSS-UHFFFAOYSA-L
MW781.27 g/mol
LogP10.30
Rot. Bonds8

About bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium

bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium (PubChem CID 6395773) has the molecular formula C32H36O4P2PdS4-2 and a molecular weight of 781.27 g/mol. Its IUPAC name is bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium.

Molecular Properties

Compound Namebis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium
PubChem CID6395773
Molecular FormulaC32H36O4P2PdS4-2
Molecular Weight781.27 g/mol
Exact Mass780.00
IUPAC Namebis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium
SMILESCc1cccc(C)c1O[P+]([S-])([S-])Oc1c(C)cccc1C.Cc1cccc(C)c1O[P+]([S-])([S-])Oc1c(C)cccc1C.[Pd]
InChIInChI=1S/2C16H19O2PS2.Pd/c2*1-11-7-5-8-12(2)15(11)17-19(20,21)18-16-13(3)9-6-10-14(16)4;/h2*5-10H,1-4H3,(H,20,21);/p-2
InChIKeyFFHIRWQBFDHRSS-UHFFFAOYSA-L
XLogP10.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.27
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethylnaphthalene
CID 162159355
CID 11032416
CID 11032416
sodium 1-[(2,3-dimethylphenoxy)-oxido-sulfidophosphaniumyl]oxy-2,3-dimethylbenzene
CID 101310875
1,3-dihydroxypropyl-(2,6-dimethylphenoxy)-dihydroxyphosphanium
CID 57229879
sodium 2-[hydroxy-(2-hydroxy-6-methylphenoxy)-sulfidophosphaniumyl]oxy-3-methylphenolate
CID 101310850
1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene
CID 68758532
1-methyl-3-phenyl-2-propan-2-yloxybenzene
CID 101215172
bis(2,6-dimethylphenyl) sulfate
CID 150501347
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
1,3-dimethyl-2-propoxybenzene
CID 579040
7-methylchrysene-1-thiol
CID 143948531
(E,4R)-1-(dimethylamino)-4-(2,6-dimethylphenoxy)pent-1-en-3-one
CID 1487401

Frequently Asked Questions

What is the IUPAC name of bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium?
The IUPAC name of bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium (CID 6395773) is bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium.
What is the SMILES notation for bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium?
The canonical SMILES for bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium is Cc1cccc(C)c1O[P+]([S-])([S-])Oc1c(C)cccc1C.Cc1cccc(C)c1O[P+]([S-])([S-])Oc1c(C)cccc1C.[Pd].
What is the InChIKey of bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium?
The InChIKey is FFHIRWQBFDHRSS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H19O2PS2.Pd/c2*1-11-7-5-8-12(2)15(11)17-19(20,21)18-16-13(3)9-6-10-14(16)4;/h2*5-10H,1-4H3,(H,20,21);/p-2.
What are the key properties of bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium?
bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium has a molecular weight of 781.27 g/mol, XLogP of 10.30, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(2,6-dimethylphenoxy)-disulfidophosphanium);palladium is sourced from PubChem (CID 6395773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).