dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane)

C84H68Cl2O4P4Ru — CID 11982893

IUPACdichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane)
SMILESCOc1ccc(C#CP(c2ccccc2)c2ccccc2)cc1.COc1ccc(C#CP(c2ccccc2)c2ccccc2)cc1.COc1ccc(C#CP(c2ccccc2)c2ccccc2)cc1.COc1ccc(C#CP(c2ccccc2)c2ccccc2)cc1.Cl[Ru]Cl
InChIInChI=1S/4C21H17OP.2ClH.Ru/c4*1-22-19-14-12-18(13-15-19)16-17-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21;;;/h4*2-15H,1H3;2*1H;/q;;;;;;+2/p-2
InChIKeyZYSCTIOUDMURDU-UHFFFAOYSA-L
MW1437.34 g/mol
LogP17.92
Rot. Bonds12

About dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane)

dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane) (PubChem CID 11982893) has the molecular formula C84H68Cl2O4P4Ru and a molecular weight of 1437.34 g/mol. Its IUPAC name is dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane).

Molecular Properties

Compound Namedichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane)
PubChem CID11982893
Molecular FormulaC84H68Cl2O4P4Ru
Molecular Weight1437.34 g/mol
Exact Mass1436.25
IUPAC Namedichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane)
SMILESCOc1ccc(C#CP(c2ccccc2)c2ccccc2)cc1.COc1ccc(C#CP(c2ccccc2)c2ccccc2)cc1.COc1ccc(C#CP(c2ccccc2)c2ccccc2)cc1.COc1ccc(C#CP(c2ccccc2)c2ccccc2)cc1.Cl[Ru]Cl
InChIInChI=1S/4C21H17OP.2ClH.Ru/c4*1-22-19-14-12-18(13-15-19)16-17-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21;;;/h4*2-15H,1H3;2*1H;/q;;;;;;+2/p-2
InChIKeyZYSCTIOUDMURDU-UHFFFAOYSA-L
XLogP17.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001437.34
LogP ≤ 517.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane)?
The IUPAC name of dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane) (CID 11982893) is dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane).
What is the SMILES notation for dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane)?
The canonical SMILES for dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane) is COc1ccc(C#CP(c2ccccc2)c2ccccc2)cc1.COc1ccc(C#CP(c2ccccc2)c2ccccc2)cc1.COc1ccc(C#CP(c2ccccc2)c2ccccc2)cc1.COc1ccc(C#CP(c2ccccc2)c2ccccc2)cc1.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane)?
The InChIKey is ZYSCTIOUDMURDU-UHFFFAOYSA-L. The full InChI is InChI=1S/4C21H17OP.2ClH.Ru/c4*1-22-19-14-12-18(13-15-19)16-17-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21;;;/h4*2-15H,1H3;2*1H;/q;;;;;;+2/p-2.
What are the key properties of dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane)?
dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane) has a molecular weight of 1437.34 g/mol, XLogP of 17.92, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;tetrakis(2-(4-methoxyphenyl)ethynyl-diphenylphosphane) is sourced from PubChem (CID 11982893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).