dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+)

C50H44Cl2N2O8P4RuZr — CID 11309323

IUPACdichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+)
SMILESCN(C)C=O.CN(C)C=O.Cl[Ru]Cl.O=P([O-])([O-])c1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4cc(P(=O)([O-])[O-])ccc34)c(P(c3ccccc3)c3ccccc3)ccc2c1.[Zr+4]
InChIInChI=1S/C44H34O6P4.2C3H7NO.2ClH.Ru.Zr/c45-53(46,47)37-23-25-39-31(29-37)21-27-41(51(33-13-5-1-6-14-33)34-15-7-2-8-16-34)43(39)44-40-26-24-38(54(48,49)50)30-32(40)22-28-42(44)52(35-17-9-3-10-18-35)36-19-11-4-12-20-36;2*1-4(2)3-5;;;;/h1-30H,(H2,45,46,47)(H2,48,49,50);2*3H,1-2H3;2*1H;;/q;;;;;+2;+4/p-6
InChIKeyULNCJUAGJRNGEY-UHFFFAOYSA-H
MW1188.00 g/mol
LogP5.04
Rot. Bonds11

About dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+)

dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+) (PubChem CID 11309323) has the molecular formula C50H44Cl2N2O8P4RuZr and a molecular weight of 1188.00 g/mol. Its IUPAC name is dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+).

Molecular Properties

Compound Namedichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+)
PubChem CID11309323
Molecular FormulaC50H44Cl2N2O8P4RuZr
Molecular Weight1188.00 g/mol
Exact Mass1185.95
IUPAC Namedichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+)
SMILESCN(C)C=O.CN(C)C=O.Cl[Ru]Cl.O=P([O-])([O-])c1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4cc(P(=O)([O-])[O-])ccc34)c(P(c3ccccc3)c3ccccc3)ccc2c1.[Zr+4]
InChIInChI=1S/C44H34O6P4.2C3H7NO.2ClH.Ru.Zr/c45-53(46,47)37-23-25-39-31(29-37)21-27-41(51(33-13-5-1-6-14-33)34-15-7-2-8-16-34)43(39)44-40-26-24-38(54(48,49)50)30-32(40)22-28-42(44)52(35-17-9-3-10-18-35)36-19-11-4-12-20-36;2*1-4(2)3-5;;;;/h1-30H,(H2,45,46,47)(H2,48,49,50);2*3H,1-2H3;2*1H;;/q;;;;;+2;+4/p-6
InChIKeyULNCJUAGJRNGEY-UHFFFAOYSA-H
XLogP5.04
TPSA167.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001188.00
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[6-diphenylphosphanyl-5-[2-diphenylphosphanyl-6-[hydroxy(methoxy)phosphoryl]naphthalen-1-yl]naphthalen-2-yl]-methoxyphosphinic acid
CID 20775207
6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 135074802
dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 11434642
[5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide
CID 11412180
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine
CID 11412181
bis([1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine
CID 11982135
bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine
CID 11982149
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+)?
The IUPAC name of dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+) (CID 11309323) is dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+).
What is the SMILES notation for dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+)?
The canonical SMILES for dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+) is CN(C)C=O.CN(C)C=O.Cl[Ru]Cl.O=P([O-])([O-])c1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4cc(P(=O)([O-])[O-])ccc34)c(P(c3ccccc3)c3ccccc3)ccc2c1.[Zr+4].
What is the InChIKey of dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+)?
The InChIKey is ULNCJUAGJRNGEY-UHFFFAOYSA-H. The full InChI is InChI=1S/C44H34O6P4.2C3H7NO.2ClH.Ru.Zr/c45-53(46,47)37-23-25-39-31(29-37)21-27-41(51(33-13-5-1-6-14-33)34-15-7-2-8-16-34)43(39)44-40-26-24-38(54(48,49)50)30-32(40)22-28-42(44)52(35-17-9-3-10-18-35)36-19-11-4-12-20-36;2*1-4(2)3-5;;;;/h1-30H,(H2,45,46,47)(H2,48,49,50);2*3H,1-2H3;2*1H;;/q;;;;;+2;+4/p-6.
What are the key properties of dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+)?
dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+) has a molecular weight of 1188.00 g/mol, XLogP of 5.04, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;bis(N,N-dimethylformamide);[6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-phosphonatonaphthalen-1-yl)naphthalen-2-yl]-dioxido-oxo-λ5-phosphane;zirconium(4+) is sourced from PubChem (CID 11309323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).