carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride

C96H162Cl4N8P4Ru5-6 — CID 161475389

IUPACcarbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride
SMILESCCC.CCC.CCC.CCC.CCC.CCC.Cl[Ru]Cl.Cl[Ru]Cl.[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[PH+](c1ccccc1)c1ccccc1.[CH2-]CC[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[NH-]CC[PH+](c1ccccc1)c1ccccc1.[NH-]CC[PH+](c1ccccc1)c1ccccc1.[Ru+3].[Ru+5].[Ru]
InChIInChI=1S/2C15H16P.2C14H15NP.6C3H7N.6C3H8.2CH3.4ClH.5Ru/c2*1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;2*15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;6*1-2-3-4;6*1-3-2;;;;;;;;;;;/h2*3-12H,1-2,13H2;2*1-10,15H,11-12H2;6*4H,1-3H2;6*3H2,1-2H3;2*1H3;4*1H;;;;;/q4*-1;6*-2;;;;;;;2*-1;;;;;;2*+2;+3;+5
InChIKeyHJBDDQUYXFDSKF-UHFFFAOYSA-N
MW2199.47 g/mol
LogP31.68
Rot. Bonds22

About carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride

carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride (PubChem CID 161475389) has the molecular formula C96H162Cl4N8P4Ru5-6 and a molecular weight of 2199.47 g/mol. Its IUPAC name is carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride.

Molecular Properties

Compound Namecarbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride
PubChem CID161475389
Molecular FormulaC96H162Cl4N8P4Ru5-6
Molecular Weight2199.47 g/mol
Exact Mass2200.59
IUPAC Namecarbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride
SMILESCCC.CCC.CCC.CCC.CCC.CCC.Cl[Ru]Cl.Cl[Ru]Cl.[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[PH+](c1ccccc1)c1ccccc1.[CH2-]CC[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[NH-]CC[PH+](c1ccccc1)c1ccccc1.[NH-]CC[PH+](c1ccccc1)c1ccccc1.[Ru+3].[Ru+5].[Ru]
InChIInChI=1S/2C15H16P.2C14H15NP.6C3H7N.6C3H8.2CH3.4ClH.5Ru/c2*1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;2*15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;6*1-2-3-4;6*1-3-2;;;;;;;;;;;/h2*3-12H,1-2,13H2;2*1-10,15H,11-12H2;6*4H,1-3H2;6*3H2,1-2H3;2*1H3;4*1H;;;;;/q4*-1;6*-2;;;;;;;2*-1;;;;;;2*+2;+3;+5
InChIKeyHJBDDQUYXFDSKF-UHFFFAOYSA-N
XLogP31.68
TPSA190.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002199.47
LogP ≤ 531.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl(diphenyl)phosphanium;carbanide;dichlororuthenium
CID 155931991
carbanide;dichlororuthenium;triphenylphosphanium
CID 59680687
dichlorocobalt;2-diphenylphosphaniumylethyl(diphenyl)phosphanium
CID 6392659
dichlororuthenium;tris(triphenylphosphanium)
CID 6373698
CID 6397995
CID 6397995
bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide
CID 11980496
bis(2-diphenylphosphaniumylethyl)-phenylphosphanium;chloroplatinum(1+)
CID 6392769
dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium
CID 6383237
bis(2-(dimethylamino)ethyl-diphenylphosphanium);palladium(2+)
CID 6393632
tetrakis(diethyl(phenyl)phosphanium);platinum
CID 88796419
carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+)
CID 134971058
carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+)
CID 162398575

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride?
The IUPAC name of carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride (CID 161475389) is carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride.
What is the SMILES notation for carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride?
The canonical SMILES for carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride is CCC.CCC.CCC.CCC.CCC.CCC.Cl[Ru]Cl.Cl[Ru]Cl.[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[NH-].[CH2-]CC[PH+](c1ccccc1)c1ccccc1.[CH2-]CC[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[NH-]CC[PH+](c1ccccc1)c1ccccc1.[NH-]CC[PH+](c1ccccc1)c1ccccc1.[Ru+3].[Ru+5].[Ru].
What is the InChIKey of carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride?
The InChIKey is HJBDDQUYXFDSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16P.2C14H15NP.6C3H7N.6C3H8.2CH3.4ClH.5Ru/c2*1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;2*15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;6*1-2-3-4;6*1-3-2;;;;;;;;;;;/h2*3-12H,1-2,13H2;2*1-10,15H,11-12H2;6*4H,1-3H2;6*3H2,1-2H3;2*1H3;4*1H;;;;;/q4*-1;6*-2;;;;;;;2*-1;;;;;;2*+2;+3;+5.
What are the key properties of carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride?
carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride has a molecular weight of 2199.47 g/mol, XLogP of 31.68, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride is sourced from PubChem (CID 161475389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).