dichloronickel;bis(2-diphenylphosphanylethanol);hydrate

C28H32Cl2NiO3P2 — CID 23730976

IUPACdichloronickel;bis(2-diphenylphosphanylethanol);hydrate
SMILESCl[Ni]Cl.O.OCCP(c1ccccc1)c1ccccc1.OCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/2C14H15OP.2ClH.Ni.H2O/c2*15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;;;;/h2*1-10,15H,11-12H2;2*1H;;1H2/q;;;;+2;/p-2
InChIKeyBKHOBVIMBIDNIB-UHFFFAOYSA-L
MW608.11 g/mol
LogP4.78
Rot. Bonds8

About dichloronickel;bis(2-diphenylphosphanylethanol);hydrate

dichloronickel;bis(2-diphenylphosphanylethanol);hydrate (PubChem CID 23730976) has the molecular formula C28H32Cl2NiO3P2 and a molecular weight of 608.11 g/mol. Its IUPAC name is dichloronickel;bis(2-diphenylphosphanylethanol);hydrate.

Molecular Properties

Compound Namedichloronickel;bis(2-diphenylphosphanylethanol);hydrate
PubChem CID23730976
Molecular FormulaC28H32Cl2NiO3P2
Molecular Weight608.11 g/mol
Exact Mass606.06
IUPAC Namedichloronickel;bis(2-diphenylphosphanylethanol);hydrate
SMILESCl[Ni]Cl.O.OCCP(c1ccccc1)c1ccccc1.OCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/2C14H15OP.2ClH.Ni.H2O/c2*15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;;;;/h2*1-10,15H,11-12H2;2*1H;;1H2/q;;;;+2;/p-2
InChIKeyBKHOBVIMBIDNIB-UHFFFAOYSA-L
XLogP4.78
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.11
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichloronickel;bis(diphenyl(propyl)phosphane)
CID 87129784
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
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bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
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bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
cycloocta-1,5-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;iridium
CID 172852253
dichloronickel;triphenylphosphane
CID 12533274
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
CID 13086823
CID 13086823
2-diphenylphosphanylethylazanium tetrafluoroborate
CID 71463643
bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate
CID 11982236

Frequently Asked Questions

What is the IUPAC name of dichloronickel;bis(2-diphenylphosphanylethanol);hydrate?
The IUPAC name of dichloronickel;bis(2-diphenylphosphanylethanol);hydrate (CID 23730976) is dichloronickel;bis(2-diphenylphosphanylethanol);hydrate.
What is the SMILES notation for dichloronickel;bis(2-diphenylphosphanylethanol);hydrate?
The canonical SMILES for dichloronickel;bis(2-diphenylphosphanylethanol);hydrate is Cl[Ni]Cl.O.OCCP(c1ccccc1)c1ccccc1.OCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of dichloronickel;bis(2-diphenylphosphanylethanol);hydrate?
The InChIKey is BKHOBVIMBIDNIB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H15OP.2ClH.Ni.H2O/c2*15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;;;;/h2*1-10,15H,11-12H2;2*1H;;1H2/q;;;;+2;/p-2.
What are the key properties of dichloronickel;bis(2-diphenylphosphanylethanol);hydrate?
dichloronickel;bis(2-diphenylphosphanylethanol);hydrate has a molecular weight of 608.11 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;bis(2-diphenylphosphanylethanol);hydrate is sourced from PubChem (CID 23730976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).