dichloronickel(2+);bis(triphenylphosphane)

C36H30Cl2NiP2+2 — CID 171039968

IUPACdichloronickel(2+);bis(triphenylphosphane)
SMILESCl[Ni+2]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+4/p-2
InChIKeyVHQPRJDILRYZBG-UHFFFAOYSA-L
MW654.18 g/mol
LogP8.27
Rot. Bonds6

About dichloronickel(2+);bis(triphenylphosphane)

dichloronickel(2+);bis(triphenylphosphane) (PubChem CID 171039968) has the molecular formula C36H30Cl2NiP2+2 and a molecular weight of 654.18 g/mol. Its IUPAC name is dichloronickel(2+);bis(triphenylphosphane).

Molecular Properties

Compound Namedichloronickel(2+);bis(triphenylphosphane)
PubChem CID171039968
Molecular FormulaC36H30Cl2NiP2+2
Molecular Weight654.18 g/mol
Exact Mass652.05
IUPAC Namedichloronickel(2+);bis(triphenylphosphane)
SMILESCl[Ni+2]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+4/p-2
InChIKeyVHQPRJDILRYZBG-UHFFFAOYSA-L
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.18
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloronickel(2+);bis(triphenylphosphane)?
The IUPAC name of dichloronickel(2+);bis(triphenylphosphane) (CID 171039968) is dichloronickel(2+);bis(triphenylphosphane).
What is the SMILES notation for dichloronickel(2+);bis(triphenylphosphane)?
The canonical SMILES for dichloronickel(2+);bis(triphenylphosphane) is Cl[Ni+2]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloronickel(2+);bis(triphenylphosphane)?
The InChIKey is VHQPRJDILRYZBG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.2ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+4/p-2.
What are the key properties of dichloronickel(2+);bis(triphenylphosphane)?
dichloronickel(2+);bis(triphenylphosphane) has a molecular weight of 654.18 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel(2+);bis(triphenylphosphane) is sourced from PubChem (CID 171039968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).