carbanide;dichlororuthenium;triphenylphosphanium

C19H19Cl2PRu — CID 59680687

IUPACcarbanide;dichlororuthenium;triphenylphosphanium
SMILESCl[Ru]Cl.[CH3-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.CH3.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;1H3;2*1H;/q;-1;;;+2/p-1
InChIKeyABKAAJJECNVOGD-UHFFFAOYSA-M
MW450.31 g/mol
LogP5.00
Rot. Bonds3

About carbanide;dichlororuthenium;triphenylphosphanium

carbanide;dichlororuthenium;triphenylphosphanium (PubChem CID 59680687) has the molecular formula C19H19Cl2PRu and a molecular weight of 450.31 g/mol. Its IUPAC name is carbanide;dichlororuthenium;triphenylphosphanium.

Molecular Properties

Compound Namecarbanide;dichlororuthenium;triphenylphosphanium
PubChem CID59680687
Molecular FormulaC19H19Cl2PRu
Molecular Weight450.31 g/mol
Exact Mass449.96
IUPAC Namecarbanide;dichlororuthenium;triphenylphosphanium
SMILESCl[Ru]Cl.[CH3-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.CH3.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;1H3;2*1H;/q;-1;;;+2/p-1
InChIKeyABKAAJJECNVOGD-UHFFFAOYSA-M
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.31
LogP ≤ 55.00
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

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CID 6373698
carbanide;nickel;triphenylphosphanium
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hexakis(triphenylphosphanium);hexabromide
CID 160734106
palladium;tetrakis(triphenylphosphanium)
CID 54587875
palladium;triphenylphosphanium
CID 22229115
dichloroplatinum;triphenylphosphanium
CID 88797109
tetrachloroosmium;bis(triphenylphosphanium)
CID 6389214
palladium;phosphane;tetrakis(triphenylphosphanium)
CID 90187474
CID 158163106
CID 158163106
dioxopalladium;triphenylphosphanium
CID 174842290
nickel;tris(trifluorophosphanium);triphenylphosphanium
CID 154702811
carbon monoxide;molybdenum;bis(triphenylphosphanium)
CID 6327321

Frequently Asked Questions

What is the IUPAC name of carbanide;dichlororuthenium;triphenylphosphanium?
The IUPAC name of carbanide;dichlororuthenium;triphenylphosphanium (CID 59680687) is carbanide;dichlororuthenium;triphenylphosphanium.
What is the SMILES notation for carbanide;dichlororuthenium;triphenylphosphanium?
The canonical SMILES for carbanide;dichlororuthenium;triphenylphosphanium is Cl[Ru]Cl.[CH3-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbanide;dichlororuthenium;triphenylphosphanium?
The InChIKey is ABKAAJJECNVOGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15P.CH3.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;1H3;2*1H;/q;-1;;;+2/p-1.
What are the key properties of carbanide;dichlororuthenium;triphenylphosphanium?
carbanide;dichlororuthenium;triphenylphosphanium has a molecular weight of 450.31 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlororuthenium;triphenylphosphanium is sourced from PubChem (CID 59680687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).