dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane

C50H48Cl2P2RuSi2 — CID 11423163

IUPACdichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane
SMILESC[Si](C)(C)c1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc([Si](C)(C)C)c3ccccc23)c2ccccc12.Cl[Ru]Cl
InChIInChI=1S/C50H48P2Si2.2ClH.Ru/c1-53(2,3)47-35-45(51(37-23-11-7-12-24-37)38-25-13-8-14-26-38)49(43-33-21-19-31-41(43)47)50-44-34-22-20-32-42(44)48(54(4,5)6)36-46(50)52(39-27-15-9-16-28-39)40-29-17-10-18-30-40;;;/h7-36H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeySZNIFJIRDQWIFC-UHFFFAOYSA-L
MW939.03 g/mol
LogP11.64
Rot. Bonds9

About dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane

dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane (PubChem CID 11423163) has the molecular formula C50H48Cl2P2RuSi2 and a molecular weight of 939.03 g/mol. Its IUPAC name is dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Namedichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane
PubChem CID11423163
Molecular FormulaC50H48Cl2P2RuSi2
Molecular Weight939.03 g/mol
Exact Mass938.12
IUPAC Namedichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane
SMILESC[Si](C)(C)c1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc([Si](C)(C)C)c3ccccc23)c2ccccc12.Cl[Ru]Cl
InChIInChI=1S/C50H48P2Si2.2ClH.Ru/c1-53(2,3)47-35-45(51(37-23-11-7-12-24-37)38-25-13-8-14-26-38)49(43-33-21-19-31-41(43)47)50-44-34-22-20-32-42(44)48(54(4,5)6)36-46(50)52(39-27-15-9-16-28-39)40-29-17-10-18-30-40;;;/h7-36H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeySZNIFJIRDQWIFC-UHFFFAOYSA-L
XLogP11.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.03
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 11445751
[1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane
CID 88908059
dichlororuthenium;triphenylphosphane;hydrate
CID 89443339
dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 11434642
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane
CID 11607115
[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane
CID 10282339
[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
CID 11490978
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[5-(4-diphenylphosphanyl-1,2-diphenylacenaphthylen-5-yl)-1,2-diphenylacenaphthylen-4-yl]-diphenylphosphane
CID 102595249
dichlororuthenium;bis(methyl(diphenyl)phosphane)
CID 175433637
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane?
The IUPAC name of dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane (CID 11423163) is dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane is C[Si](C)(C)c1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc([Si](C)(C)C)c3ccccc23)c2ccccc12.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane?
The InChIKey is SZNIFJIRDQWIFC-UHFFFAOYSA-L. The full InChI is InChI=1S/C50H48P2Si2.2ClH.Ru/c1-53(2,3)47-35-45(51(37-23-11-7-12-24-37)38-25-13-8-14-26-38)49(43-33-21-19-31-41(43)47)50-44-34-22-20-32-42(44)48(54(4,5)6)36-46(50)52(39-27-15-9-16-28-39)40-29-17-10-18-30-40;;;/h7-36H,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane?
dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane has a molecular weight of 939.03 g/mol, XLogP of 11.64, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 11423163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).