cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide

C92H98N2O8P4Ru4+8 — CID 11985471

IUPACcyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide
SMILESCC(O)O.CC(O)O.CC(O)O.CC(O)O.[C-]#N.[C-]#N.[Ru+6].[Ru+6].[Ru].[Ru].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.2C5H5.4C2H6O2.2CN.4Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-5-3-1;4*1-2(3)4;2*1-2;;;;/h4*1-15H;2*1-5H;4*2-4H,1H3;;;;;;/q;;;;-5;-1;;;;;2*-1;;;2*+6/p+4
InChIKeyOHPDTOKBAXXPPS-UHFFFAOYSA-R
MW1887.98 g/mol
LogP12.97
Rot. Bonds12

About cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide

cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide (PubChem CID 11985471) has the molecular formula C92H98N2O8P4Ru4+8 and a molecular weight of 1887.98 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide
PubChem CID11985471
Molecular FormulaC92H98N2O8P4Ru4+8
Molecular Weight1887.98 g/mol
Exact Mass1890.24
IUPAC Namecyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide
SMILESCC(O)O.CC(O)O.CC(O)O.CC(O)O.[C-]#N.[C-]#N.[Ru+6].[Ru+6].[Ru].[Ru].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.2C5H5.4C2H6O2.2CN.4Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-5-3-1;4*1-2(3)4;2*1-2;;;;/h4*1-15H;2*1-5H;4*2-4H,1H3;;;;;;/q;;;;-5;-1;;;;;2*-1;;;2*+6/p+4
InChIKeyOHPDTOKBAXXPPS-UHFFFAOYSA-R
XLogP12.97
TPSA209.42 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001887.98
LogP ≤ 512.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide
CID 11985301
carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium
CID 172991193
cyclopenta-1,3-diene;bis(methyl(diphenyl)phosphanium);osmium monohydride
CID 11987429
carbon monoxide;cyclopenta-1,3-diene;iron;propan-1-one;triphenylphosphanium
CID 42622038
azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate
CID 24892927
carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion
CID 11987355
cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide
CID 135534793
chlororuthenium;cyclopenta-1,3-diene;dichloroplatinum;diphenylphosphaniumylmethyl(diphenyl)phosphanium;triphenylphosphanium
CID 42620755
palladium;triphenylphosphanium
CID 22229115
palladium;tetrakis(triphenylphosphanium)
CID 54587875
hexakis(triphenylphosphanium);hexabromide
CID 160734106
gold(1+);2-methylpropanoate;triphenylphosphanium
CID 171041011

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide?
The IUPAC name of cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide (CID 11985471) is cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide is CC(O)O.CC(O)O.CC(O)O.CC(O)O.[C-]#N.[C-]#N.[Ru+6].[Ru+6].[Ru].[Ru].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide?
The InChIKey is OHPDTOKBAXXPPS-UHFFFAOYSA-R. The full InChI is InChI=1S/4C18H15P.2C5H5.4C2H6O2.2CN.4Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-5-3-1;4*1-2(3)4;2*1-2;;;;/h4*1-15H;2*1-5H;4*2-4H,1H3;;;;;;/q;;;;-5;-1;;;;;2*-1;;;2*+6/p+4.
What are the key properties of cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide?
cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide has a molecular weight of 1887.98 g/mol, XLogP of 12.97, 12 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide is sourced from PubChem (CID 11985471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).