dichloronickel;toluene;tricyclohexylphosphane

C25H41Cl2NiP — CID 174762533

IUPACdichloronickel;toluene;tricyclohexylphosphane
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cc1ccccc1.Cl[Ni]Cl
InChIInChI=1S/C18H33P.C7H8.2ClH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h16-18H,1-15H2;2-6H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyPXFAJXIGJHZFRG-UHFFFAOYSA-L
MW502.18 g/mol
LogP9.84
Rot. Bonds3

About dichloronickel;toluene;tricyclohexylphosphane

dichloronickel;toluene;tricyclohexylphosphane (PubChem CID 174762533) has the molecular formula C25H41Cl2NiP and a molecular weight of 502.18 g/mol. Its IUPAC name is dichloronickel;toluene;tricyclohexylphosphane.

Molecular Properties

Compound Namedichloronickel;toluene;tricyclohexylphosphane
PubChem CID174762533
Molecular FormulaC25H41Cl2NiP
Molecular Weight502.18 g/mol
Exact Mass500.17
IUPAC Namedichloronickel;toluene;tricyclohexylphosphane
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cc1ccccc1.Cl[Ni]Cl
InChIInChI=1S/C18H33P.C7H8.2ClH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h16-18H,1-15H2;2-6H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyPXFAJXIGJHZFRG-UHFFFAOYSA-L
XLogP9.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.18
LogP ≤ 59.84
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

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4-methylbenzenesulfonate;palladium(2+);prop-1-ene;tricyclohexylphosphane
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Frequently Asked Questions

What is the IUPAC name of dichloronickel;toluene;tricyclohexylphosphane?
The IUPAC name of dichloronickel;toluene;tricyclohexylphosphane (CID 174762533) is dichloronickel;toluene;tricyclohexylphosphane.
What is the SMILES notation for dichloronickel;toluene;tricyclohexylphosphane?
The canonical SMILES for dichloronickel;toluene;tricyclohexylphosphane is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cc1ccccc1.Cl[Ni]Cl.
What is the InChIKey of dichloronickel;toluene;tricyclohexylphosphane?
The InChIKey is PXFAJXIGJHZFRG-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H33P.C7H8.2ClH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h16-18H,1-15H2;2-6H,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichloronickel;toluene;tricyclohexylphosphane?
dichloronickel;toluene;tricyclohexylphosphane has a molecular weight of 502.18 g/mol, XLogP of 9.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;toluene;tricyclohexylphosphane is sourced from PubChem (CID 174762533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).