carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride

C38H32Cl2O2P2Ru+ — CID 170843767

IUPACcarbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride
SMILESCl.Cl.[C-]#[O+].[C-]#[O+].[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2CO.2ClH.Ru/c2*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;;;/h2*1-15H;;;2*1H;/q;;;;;;+1
InChIKeyDCTTYNQEXWMFNW-UHFFFAOYSA-N
MW754.60 g/mol
LogP7.66
Rot. Bonds6

About carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride

carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride (PubChem CID 170843767) has the molecular formula C38H32Cl2O2P2Ru+ and a molecular weight of 754.60 g/mol. Its IUPAC name is carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride.

Molecular Properties

Compound Namecarbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride
PubChem CID170843767
Molecular FormulaC38H32Cl2O2P2Ru+
Molecular Weight754.60 g/mol
Exact Mass754.03
IUPAC Namecarbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride
SMILESCl.Cl.[C-]#[O+].[C-]#[O+].[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2CO.2ClH.Ru/c2*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;;;/h2*1-15H;;;2*1H;/q;;;;;;+1
InChIKeyDCTTYNQEXWMFNW-UHFFFAOYSA-N
XLogP7.66
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.60
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;rhenium;triphenylphosphane
CID 139109889
carbon monoxide;iridium;bis(triphenylphosphane);hydrate
CID 10963762
carbon monoxide;iridium;bis(triphenylphosphane);iodide
CID 45279236
carbon monoxide;platinum;sulfanide;tris(triphenylphosphane)
CID 10931243
carbon monoxide;iridium;bis(triphenylphosphane);dibromide
CID 155883167
carbon monoxide;platinum;sulfanide;bis(triphenylphosphane)
CID 10931102
tris(triphenylphosphane);trihydrochloride
CID 173282987
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;octahydrochloride
CID 172751742
stibane;triphenylphosphane;hexahydrofluoride
CID 174582566
triphenylphosphane
CID 139056248
carbon monoxide;dichlororhodium;bis(triphenylphosphane)
CID 11136420

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride?
The IUPAC name of carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride (CID 170843767) is carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride.
What is the SMILES notation for carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride?
The canonical SMILES for carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride is Cl.Cl.[C-]#[O+].[C-]#[O+].[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride?
The InChIKey is DCTTYNQEXWMFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.2CO.2ClH.Ru/c2*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;;;/h2*1-15H;;;2*1H;/q;;;;;;+1.
What are the key properties of carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride?
carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride has a molecular weight of 754.60 g/mol, XLogP of 7.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride is sourced from PubChem (CID 170843767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).