bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride

C30H36Cl2N2P2Ru — CID 170997457

IUPACbis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride
SMILESNCCCP(c1ccccc1)c1ccccc1.NCCCP(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/2C15H18NP.2ClH.Ru/c2*16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;;;/h2*1-6,8-11H,7,12-13,16H2;2*1H;/q;;;;+2/p-2
InChIKeyMLZFSEGMJUGESY-UHFFFAOYSA-L
MW658.56 g/mol
LogP-1.06
Rot. Bonds10

About bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride

bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride (PubChem CID 170997457) has the molecular formula C30H36Cl2N2P2Ru and a molecular weight of 658.56 g/mol. Its IUPAC name is bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride.

Molecular Properties

Compound Namebis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride
PubChem CID170997457
Molecular FormulaC30H36Cl2N2P2Ru
Molecular Weight658.56 g/mol
Exact Mass658.08
IUPAC Namebis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride
SMILESNCCCP(c1ccccc1)c1ccccc1.NCCCP(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/2C15H18NP.2ClH.Ru/c2*16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;;;/h2*1-6,8-11H,7,12-13,16H2;2*1H;/q;;;;+2/p-2
InChIKeyMLZFSEGMJUGESY-UHFFFAOYSA-L
XLogP-1.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500658.56
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride?
The IUPAC name of bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride (CID 170997457) is bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride.
What is the SMILES notation for bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride?
The canonical SMILES for bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride is NCCCP(c1ccccc1)c1ccccc1.NCCCP(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride?
The InChIKey is MLZFSEGMJUGESY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H18NP.2ClH.Ru/c2*16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;;;/h2*1-6,8-11H,7,12-13,16H2;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride?
bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride has a molecular weight of 658.56 g/mol, XLogP of -1.06, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride is sourced from PubChem (CID 170997457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).