2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+)

C28H30NO5PPdS — CID 16756581

IUPAC2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+)
SMILESCOc1ccccc1P(c1ccccc1OC)c1ccccc1S(=O)(=O)[O-].Cc1cccc(C)n1.[CH3-].[Pd+2]
InChIInChI=1S/C20H19O5PS.C7H9N.CH3.Pd/c1-24-15-9-3-5-11-17(15)26(18-12-6-4-10-16(18)25-2)19-13-7-8-14-20(19)27(21,22)23;1-6-4-3-5-7(2)8-6;;/h3-14H,1-2H3,(H,21,22,23);3-5H,1-2H3;1H3;/q;;-1;+2/p-1
InChIKeyXHHRREFWTBBYKE-UHFFFAOYSA-M
MW630.01 g/mol
LogP4.51
Rot. Bonds6

About 2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+)

2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+) (PubChem CID 16756581) has the molecular formula C28H30NO5PPdS and a molecular weight of 630.01 g/mol. Its IUPAC name is 2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+).

Molecular Properties

Compound Name2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+)
PubChem CID16756581
Molecular FormulaC28H30NO5PPdS
Molecular Weight630.01 g/mol
Exact Mass629.06
IUPAC Name2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+)
SMILESCOc1ccccc1P(c1ccccc1OC)c1ccccc1S(=O)(=O)[O-].Cc1cccc(C)n1.[CH3-].[Pd+2]
InChIInChI=1S/C20H19O5PS.C7H9N.CH3.Pd/c1-24-15-9-3-5-11-17(15)26(18-12-6-4-10-16(18)25-2)19-13-7-8-14-20(19)27(21,22)23;1-6-4-3-5-7(2)8-6;;/h3-14H,1-2H3,(H,21,22,23);3-5H,1-2H3;1H3;/q;;-1;+2/p-1
InChIKeyXHHRREFWTBBYKE-UHFFFAOYSA-M
XLogP4.51
TPSA88.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.01
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)
CID 162373258
sodium;2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;palladium(2+);bis(propan-2-one);chloride
CID 139114968
2-bis[2-(2,6-dimethoxyphenyl)phenyl]phosphanylbenzenesulfonate;carbanide;palladium(2+);pyridine
CID 25041913
lithium;carbanide;2-[[4-(hydroxymethyl)phenyl]-(2-methoxyphenyl)phosphanyl]benzenesulfonate;palladium(2+);propan-2-one;chloride
CID 139147558
lithium bis(2-methoxyphenyl)phosphinite
CID 22052788
sodium 4-methoxy-3-methylazulene-1-sulfonate
CID 23690666
lithium 2-dichlorophosphanylbenzenesulfonate
CID 167508079
2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol
CID 58660014
2-(2-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 87041322
2-[(2-methoxy-6-methylphenyl)-(2-propan-2-ylphenyl)phosphanyl]benzenesulfonic acid
CID 122537144
[2-bis(2-methoxyphenyl)phosphanylphenyl]methanol
CID 153279008
N-[6-[(2-methoxyphenyl)-phenylphosphanyl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 102181078

Frequently Asked Questions

What is the IUPAC name of 2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+)?
The IUPAC name of 2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+) (CID 16756581) is 2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+).
What is the SMILES notation for 2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+)?
The canonical SMILES for 2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+) is COc1ccccc1P(c1ccccc1OC)c1ccccc1S(=O)(=O)[O-].Cc1cccc(C)n1.[CH3-].[Pd+2].
What is the InChIKey of 2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+)?
The InChIKey is XHHRREFWTBBYKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19O5PS.C7H9N.CH3.Pd/c1-24-15-9-3-5-11-17(15)26(18-12-6-4-10-16(18)25-2)19-13-7-8-14-20(19)27(21,22)23;1-6-4-3-5-7(2)8-6;;/h3-14H,1-2H3,(H,21,22,23);3-5H,1-2H3;1H3;/q;;-1;+2/p-1.
What are the key properties of 2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+)?
2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+) has a molecular weight of 630.01 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;2,6-dimethylpyridine;palladium(2+) is sourced from PubChem (CID 16756581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).