dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel

C30H32Cl2NiP2 — CID 6102221

IUPACdibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel
SMILESCl[Ni]Cl.c1ccc(CP(CCP(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C30H32P2.2ClH.Ni/c1-5-13-27(14-6-1)23-31(24-28-15-7-2-8-16-28)21-22-32(25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30;;;/h1-20H,21-26H2;2*1H;/q;;;+2/p-2
InChIKeyPVIOHKJRJYKSMC-UHFFFAOYSA-L
MW584.13 g/mol
LogP10.13
Rot. Bonds11

About dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel

dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel (PubChem CID 6102221) has the molecular formula C30H32Cl2NiP2 and a molecular weight of 584.13 g/mol. Its IUPAC name is dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel.

Molecular Properties

Compound Namedibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel
PubChem CID6102221
Molecular FormulaC30H32Cl2NiP2
Molecular Weight584.13 g/mol
Exact Mass582.07
IUPAC Namedibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel
SMILESCl[Ni]Cl.c1ccc(CP(CCP(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C30H32P2.2ClH.Ni/c1-5-13-27(14-6-1)23-31(24-28-15-7-2-8-16-28)21-22-32(25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30;;;/h1-20H,21-26H2;2*1H;/q;;;+2/p-2
InChIKeyPVIOHKJRJYKSMC-UHFFFAOYSA-L
XLogP10.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.13
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel 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

palladium;bis(tribenzylphosphane)
CID 87652258
dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane
CID 12037877
chloromethanone;ruthenium(1+) monohydride;tris(tribenzylphosphane)
CID 173451845
benzyl-butyl-ethylphosphane
CID 54234955
dichloronickel;bis(diphenyl(propyl)phosphane)
CID 87129784
dichloronickel;bis(2-diphenylphosphanylethanol);hydrate
CID 23730976
bis(benzyl(diphenyl)phosphane);dichloropalladium
CID 134992154
benzyl-methyl-propylphosphane
CID 13024967
dichloronickel;triphenylphosphane
CID 12533274
benzyl-bromo-propylphosphane
CID 139995622
dibenzyl(1-dibenzylphosphanylethyl)phosphane
CID 21296881
dibenzyl(dihydroxy)azanium
CID 87501623

Frequently Asked Questions

What is the IUPAC name of dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel?
The IUPAC name of dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel (CID 6102221) is dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel.
What is the SMILES notation for dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel?
The canonical SMILES for dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel is Cl[Ni]Cl.c1ccc(CP(CCP(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel?
The InChIKey is PVIOHKJRJYKSMC-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H32P2.2ClH.Ni/c1-5-13-27(14-6-1)23-31(24-28-15-7-2-8-16-28)21-22-32(25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30;;;/h1-20H,21-26H2;2*1H;/q;;;+2/p-2.
What are the key properties of dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel?
dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel has a molecular weight of 584.13 g/mol, XLogP of 10.13, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel is sourced from PubChem (CID 6102221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).