dichloronickel;triphenylphosphane

C18H15Cl2NiP — CID 12533274

IUPACdichloronickel;triphenylphosphane
SMILESCl[Ni]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2ClH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-15H;2*1H;/q;;;+2/p-2
InChIKeyMJFCDPLEATUOPF-UHFFFAOYSA-L
MW391.89 g/mol
LogP4.82
Rot. Bonds3

About dichloronickel;triphenylphosphane

dichloronickel;triphenylphosphane (PubChem CID 12533274) has the molecular formula C18H15Cl2NiP and a molecular weight of 391.89 g/mol. Its IUPAC name is dichloronickel;triphenylphosphane.

Molecular Properties

Compound Namedichloronickel;triphenylphosphane
PubChem CID12533274
Molecular FormulaC18H15Cl2NiP
Molecular Weight391.89 g/mol
Exact Mass389.96
IUPAC Namedichloronickel;triphenylphosphane
SMILESCl[Ni]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2ClH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-15H;2*1H;/q;;;+2/p-2
InChIKeyMJFCDPLEATUOPF-UHFFFAOYSA-L
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.89
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenylphosphane
CID 139056248
chlorosilver;triphenylphosphane
CID 12824775
chlorogold;triphenylphosphane
CID 10874691
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359

Frequently Asked Questions

What is the IUPAC name of dichloronickel;triphenylphosphane?
The IUPAC name of dichloronickel;triphenylphosphane (CID 12533274) is dichloronickel;triphenylphosphane.
What is the SMILES notation for dichloronickel;triphenylphosphane?
The canonical SMILES for dichloronickel;triphenylphosphane is Cl[Ni]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloronickel;triphenylphosphane?
The InChIKey is MJFCDPLEATUOPF-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15P.2ClH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-15H;2*1H;/q;;;+2/p-2.
What are the key properties of dichloronickel;triphenylphosphane?
dichloronickel;triphenylphosphane has a molecular weight of 391.89 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;triphenylphosphane is sourced from PubChem (CID 12533274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).