chloronickel;bis(tris(dimethylamino)phosphanium)

C12H38ClN6NiP2+2 — CID 88638032

IUPACchloronickel;bis(tris(dimethylamino)phosphanium)
SMILESCN(C)[PH+](N(C)C)N(C)C.CN(C)[PH+](N(C)C)N(C)C.Cl[Ni]
InChIInChI=1S/2C6H18N3P.ClH.Ni/c2*1-7(2)10(8(3)4)9(5)6;;/h2*1-6H3;1H;/q;;;+1/p+1
InChIKeyFBISAVMONAOGQR-UHFFFAOYSA-O
MW422.57 g/mol
LogP1.95
Rot. Bonds6

About chloronickel;bis(tris(dimethylamino)phosphanium)

chloronickel;bis(tris(dimethylamino)phosphanium) (PubChem CID 88638032) has the molecular formula C12H38ClN6NiP2+2 and a molecular weight of 422.57 g/mol. Its IUPAC name is chloronickel;bis(tris(dimethylamino)phosphanium).

Molecular Properties

Compound Namechloronickel;bis(tris(dimethylamino)phosphanium)
PubChem CID88638032
Molecular FormulaC12H38ClN6NiP2+2
Molecular Weight422.57 g/mol
Exact Mass421.17
IUPAC Namechloronickel;bis(tris(dimethylamino)phosphanium)
SMILESCN(C)[PH+](N(C)C)N(C)C.CN(C)[PH+](N(C)C)N(C)C.Cl[Ni]
InChIInChI=1S/2C6H18N3P.ClH.Ni/c2*1-7(2)10(8(3)4)9(5)6;;/h2*1-6H3;1H;/q;;;+1/p+1
InChIKeyFBISAVMONAOGQR-UHFFFAOYSA-O
XLogP1.95
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloronickel;bis(tris(dimethylamino)phosphanium)?
The IUPAC name of chloronickel;bis(tris(dimethylamino)phosphanium) (CID 88638032) is chloronickel;bis(tris(dimethylamino)phosphanium).
What is the SMILES notation for chloronickel;bis(tris(dimethylamino)phosphanium)?
The canonical SMILES for chloronickel;bis(tris(dimethylamino)phosphanium) is CN(C)[PH+](N(C)C)N(C)C.CN(C)[PH+](N(C)C)N(C)C.Cl[Ni].
What is the InChIKey of chloronickel;bis(tris(dimethylamino)phosphanium)?
The InChIKey is FBISAVMONAOGQR-UHFFFAOYSA-O. The full InChI is InChI=1S/2C6H18N3P.ClH.Ni/c2*1-7(2)10(8(3)4)9(5)6;;/h2*1-6H3;1H;/q;;;+1/p+1.
What are the key properties of chloronickel;bis(tris(dimethylamino)phosphanium)?
chloronickel;bis(tris(dimethylamino)phosphanium) has a molecular weight of 422.57 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloronickel;bis(tris(dimethylamino)phosphanium) is sourced from PubChem (CID 88638032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).