tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate)

C102H76Cl4Na4O12P4Ru2S4 — CID 11982329

IUPACtetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate)
SMILESCl[Ru](Cl)=C=C=C(c1ccccc1)c1ccccc1.Cl[Ru](Cl)=C=C=C(c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C18H15O3PS.2C15H10.4ClH.4Na.2Ru/c4*19-23(20,21)18-14-8-7-13-17(18)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;2*1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;;;;;;;;/h4*1-14H,(H,19,20,21);2*3-12H;4*1H;;;;;;/q;;;;;;;;;;4*+1;2*+2/p-8
InChIKeyPPJLOAACUDKMAY-UHFFFAOYSA-F
MW2181.79 g/mol
LogP6.61
Rot. Bonds20

About tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate)

tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate) (PubChem CID 11982329) has the molecular formula C102H76Cl4Na4O12P4Ru2S4 and a molecular weight of 2181.79 g/mol. Its IUPAC name is tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate).

Molecular Properties

Compound Nametetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate)
PubChem CID11982329
Molecular FormulaC102H76Cl4Na4O12P4Ru2S4
Molecular Weight2181.79 g/mol
Exact Mass2179.96
IUPAC Nametetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate)
SMILESCl[Ru](Cl)=C=C=C(c1ccccc1)c1ccccc1.Cl[Ru](Cl)=C=C=C(c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C18H15O3PS.2C15H10.4ClH.4Na.2Ru/c4*19-23(20,21)18-14-8-7-13-17(18)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;2*1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;;;;;;;;/h4*1-14H,(H,19,20,21);2*3-12H;4*1H;;;;;;/q;;;;;;;;;;4*+1;2*+2/p-8
InChIKeyPPJLOAACUDKMAY-UHFFFAOYSA-F
XLogP6.61
TPSA228.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002181.79
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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CID 167508079
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CID 150435100
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bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)
CID 162373258
lithium;methane;4-methyl-2-[(5-methyl-2-sulfonatophenyl)-phenylphosphanyl]benzenesulfonate;palladium
CID 132850778
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CID 174928340
sodium 2-prop-1-en-2-ylbenzenesulfonate
CID 23706375
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
sodium 2-oxo-2-phenylethanesulfonate
CID 23684703
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CID 87072457
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CID 87657944

Frequently Asked Questions

What is the IUPAC name of tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate)?
The IUPAC name of tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate) (CID 11982329) is tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate).
What is the SMILES notation for tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate)?
The canonical SMILES for tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate) is Cl[Ru](Cl)=C=C=C(c1ccccc1)c1ccccc1.Cl[Ru](Cl)=C=C=C(c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccccc1P(c1ccccc1)c1ccccc1.[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate)?
The InChIKey is PPJLOAACUDKMAY-UHFFFAOYSA-F. The full InChI is InChI=1S/4C18H15O3PS.2C15H10.4ClH.4Na.2Ru/c4*19-23(20,21)18-14-8-7-13-17(18)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;2*1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;;;;;;;;/h4*1-14H,(H,19,20,21);2*3-12H;4*1H;;;;;;/q;;;;;;;;;;4*+1;2*+2/p-8.
What are the key properties of tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate)?
tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate) has a molecular weight of 2181.79 g/mol, XLogP of 6.61, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate) is sourced from PubChem (CID 11982329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).