nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride

C15H20ClNiP2- — CID 87241593

IUPACnickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride
SMILESCC(C)Pc1ccccc1.Pc1ccccc1.[Cl-].[Ni]
InChIInChI=1S/C9H13P.C6H7P.ClH.Ni/c1-8(2)10-9-6-4-3-5-7-9;7-6-4-2-1-3-5-6;;/h3-8,10H,1-2H3;1-5H,7H2;1H;/p-1
InChIKeyNOYYCTSWMLKHNL-UHFFFAOYSA-M
MW356.42 g/mol
LogP0.59
Rot. Bonds2

About nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride

nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride (PubChem CID 87241593) has the molecular formula C15H20ClNiP2- and a molecular weight of 356.42 g/mol. Its IUPAC name is nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride.

Molecular Properties

Compound Namenickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride
PubChem CID87241593
Molecular FormulaC15H20ClNiP2-
Molecular Weight356.42 g/mol
Exact Mass355.01
IUPAC Namenickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride
SMILESCC(C)Pc1ccccc1.Pc1ccccc1.[Cl-].[Ni]
InChIInChI=1S/C9H13P.C6H7P.ClH.Ni/c1-8(2)10-9-6-4-3-5-7-9;7-6-4-2-1-3-5-6;;/h3-8,10H,1-2H3;1-5H,7H2;1H;/p-1
InChIKeyNOYYCTSWMLKHNL-UHFFFAOYSA-M
XLogP0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.59
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 nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride?
The IUPAC name of nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride (CID 87241593) is nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride.
What is the SMILES notation for nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride?
The canonical SMILES for nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride is CC(C)Pc1ccccc1.Pc1ccccc1.[Cl-].[Ni].
What is the InChIKey of nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride?
The InChIKey is NOYYCTSWMLKHNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13P.C6H7P.ClH.Ni/c1-8(2)10-9-6-4-3-5-7-9;7-6-4-2-1-3-5-6;;/h3-8,10H,1-2H3;1-5H,7H2;1H;/p-1.
What are the key properties of nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride?
nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride has a molecular weight of 356.42 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;phenylphosphane;phenyl(propan-2-yl)phosphane;chloride is sourced from PubChem (CID 87241593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).