dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane)

C43H73Cl2P2Ru- — CID 11083370

IUPACdichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane)
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru]Cl.[CH2-]c1ccccc1
InChIInChI=1S/2C18H33P.C7H7.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h2*16-18H,1-15H2;2-6H,1H2;2*1H;/q;;-1;;;+2/p-2
InChIKeyVSHJKJGZPCUHLM-UHFFFAOYSA-L
MW823.98 g/mol
LogP16.18
Rot. Bonds6

About dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane)

dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane) (PubChem CID 11083370) has the molecular formula C43H73Cl2P2Ru- and a molecular weight of 823.98 g/mol. Its IUPAC name is dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane).

Molecular Properties

Compound Namedichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane)
PubChem CID11083370
Molecular FormulaC43H73Cl2P2Ru-
Molecular Weight823.98 g/mol
Exact Mass823.36
IUPAC Namedichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane)
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru]Cl.[CH2-]c1ccccc1
InChIInChI=1S/2C18H33P.C7H7.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h2*16-18H,1-15H2;2-6H,1H2;2*1H;/q;;-1;;;+2/p-2
InChIKeyVSHJKJGZPCUHLM-UHFFFAOYSA-L
XLogP16.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.98
LogP ≤ 516.18
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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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane)?
The IUPAC name of dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane) (CID 11083370) is dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane).
What is the SMILES notation for dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane)?
The canonical SMILES for dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane) is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru]Cl.[CH2-]c1ccccc1.
What is the InChIKey of dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane)?
The InChIKey is VSHJKJGZPCUHLM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H33P.C7H7.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h2*16-18H,1-15H2;2-6H,1H2;2*1H;/q;;-1;;;+2/p-2.
What are the key properties of dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane)?
dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane) has a molecular weight of 823.98 g/mol, XLogP of 16.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;methanidylbenzene;bis(tricyclohexylphosphane) is sourced from PubChem (CID 11083370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).