dichloronickel;bis(diphenyl(propyl)phosphane)

C30H34Cl2NiP2 — CID 87129784

IUPACdichloronickel;bis(diphenyl(propyl)phosphane)
SMILESCCCP(c1ccccc1)c1ccccc1.CCCP(c1ccccc1)c1ccccc1.Cl[Ni]Cl
InChIInChI=1S/2C15H17P.2ClH.Ni/c2*1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;;;/h2*3-12H,2,13H2,1H3;2*1H;/q;;;;+2/p-2
InChIKeyWXSWMJGZRDCJAJ-UHFFFAOYSA-L
MW586.15 g/mol
LogP8.44
Rot. Bonds8

About dichloronickel;bis(diphenyl(propyl)phosphane)

dichloronickel;bis(diphenyl(propyl)phosphane) (PubChem CID 87129784) has the molecular formula C30H34Cl2NiP2 and a molecular weight of 586.15 g/mol. Its IUPAC name is dichloronickel;bis(diphenyl(propyl)phosphane).

Molecular Properties

Compound Namedichloronickel;bis(diphenyl(propyl)phosphane)
PubChem CID87129784
Molecular FormulaC30H34Cl2NiP2
Molecular Weight586.15 g/mol
Exact Mass584.09
IUPAC Namedichloronickel;bis(diphenyl(propyl)phosphane)
SMILESCCCP(c1ccccc1)c1ccccc1.CCCP(c1ccccc1)c1ccccc1.Cl[Ni]Cl
InChIInChI=1S/2C15H17P.2ClH.Ni/c2*1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;;;/h2*3-12H,2,13H2,1H3;2*1H;/q;;;;+2/p-2
InChIKeyWXSWMJGZRDCJAJ-UHFFFAOYSA-L
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.15
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichloronickel;bis(diphenyl(propyl)phosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dichloroiron;diphenyl(propyl)phosphane
CID 175149268
dichloronickel;bis(2-diphenylphosphanylethanol);hydrate
CID 23730976
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
ethyl(diphenyl)phosphane;trichlororuthenium
CID 159343437
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
dichloronickel;triphenylphosphane
CID 12533274
butyl(2-diphenylphosphanylethyl)azanium chloride
CID 11427235
2-dipropoxysilylethyl(diphenyl)phosphane
CID 123453967

Frequently Asked Questions

What is the IUPAC name of dichloronickel;bis(diphenyl(propyl)phosphane)?
The IUPAC name of dichloronickel;bis(diphenyl(propyl)phosphane) (CID 87129784) is dichloronickel;bis(diphenyl(propyl)phosphane).
What is the SMILES notation for dichloronickel;bis(diphenyl(propyl)phosphane)?
The canonical SMILES for dichloronickel;bis(diphenyl(propyl)phosphane) is CCCP(c1ccccc1)c1ccccc1.CCCP(c1ccccc1)c1ccccc1.Cl[Ni]Cl.
What is the InChIKey of dichloronickel;bis(diphenyl(propyl)phosphane)?
The InChIKey is WXSWMJGZRDCJAJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H17P.2ClH.Ni/c2*1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;;;/h2*3-12H,2,13H2,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichloronickel;bis(diphenyl(propyl)phosphane)?
dichloronickel;bis(diphenyl(propyl)phosphane) has a molecular weight of 586.15 g/mol, XLogP of 8.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;bis(diphenyl(propyl)phosphane) is sourced from PubChem (CID 87129784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).