bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)

C40H36O10P2PdS2 — CID 162373258

IUPACbis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)
SMILESCOc1ccccc1P(c1ccccc1OC)c1ccccc1S(=O)(=O)[O-].COc1ccccc1P(c1ccccc1OC)c1ccccc1S(=O)(=O)[O-].[Pd+2]
InChIInChI=1S/2C20H19O5PS.Pd/c2*1-24-15-9-3-5-11-17(15)26(18-12-6-4-10-16(18)25-2)19-13-7-8-14-20(19)27(21,22)23;/h2*3-14H,1-2H3,(H,21,22,23);/q;;+2/p-2
InChIKeyVWXKASSMUHUHHM-UHFFFAOYSA-L
MW909.22 g/mol
LogP4.73
Rot. Bonds12

About bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)

bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+) (PubChem CID 162373258) has the molecular formula C40H36O10P2PdS2 and a molecular weight of 909.22 g/mol. Its IUPAC name is bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+).

Molecular Properties

Compound Namebis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)
PubChem CID162373258
Molecular FormulaC40H36O10P2PdS2
Molecular Weight909.22 g/mol
Exact Mass908.03
IUPAC Namebis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)
SMILESCOc1ccccc1P(c1ccccc1OC)c1ccccc1S(=O)(=O)[O-].COc1ccccc1P(c1ccccc1OC)c1ccccc1S(=O)(=O)[O-].[Pd+2]
InChIInChI=1S/2C20H19O5PS.Pd/c2*1-24-15-9-3-5-11-17(15)26(18-12-6-4-10-16(18)25-2)19-13-7-8-14-20(19)27(21,22)23;/h2*3-14H,1-2H3,(H,21,22,23);/q;;+2/p-2
InChIKeyVWXKASSMUHUHHM-UHFFFAOYSA-L
XLogP4.73
TPSA151.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500909.22
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;palladium(2+);bis(propan-2-one);chloride
CID 139114968
2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+)
CID 16756581
lithium;carbanide;2-[[4-(hydroxymethyl)phenyl]-(2-methoxyphenyl)phosphanyl]benzenesulfonate;palladium(2+);propan-2-one;chloride
CID 139147558
2-bis[2-(2,6-dimethoxyphenyl)phenyl]phosphanylbenzenesulfonate;carbanide;palladium(2+);pyridine
CID 25041913
lithium bis(2-methoxyphenyl)phosphinite
CID 22052788
lithium 2-dichlorophosphanylbenzenesulfonate
CID 167508079
sodium 4-methoxy-3-methylazulene-1-sulfonate
CID 23690666
[2-bis(2-methoxyphenyl)phosphanylphenyl]methanol
CID 153279008
2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol
CID 58660014
acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+))
CID 173242051
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926

Frequently Asked Questions

What is the IUPAC name of bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)?
The IUPAC name of bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+) (CID 162373258) is bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+).
What is the SMILES notation for bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)?
The canonical SMILES for bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+) is COc1ccccc1P(c1ccccc1OC)c1ccccc1S(=O)(=O)[O-].COc1ccccc1P(c1ccccc1OC)c1ccccc1S(=O)(=O)[O-].[Pd+2].
What is the InChIKey of bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)?
The InChIKey is VWXKASSMUHUHHM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H19O5PS.Pd/c2*1-24-15-9-3-5-11-17(15)26(18-12-6-4-10-16(18)25-2)19-13-7-8-14-20(19)27(21,22)23;/h2*3-14H,1-2H3,(H,21,22,23);/q;;+2/p-2.
What are the key properties of bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)?
bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+) has a molecular weight of 909.22 g/mol, XLogP of 4.73, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+) is sourced from PubChem (CID 162373258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).