diiodonickel;ethyl(triphenyl)phosphanium

C20H20I2NiP+ — CID 160550890

IUPACdiiodonickel;ethyl(triphenyl)phosphanium
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I[Ni]I
InChIInChI=1S/C20H20P.2HI.Ni/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h3-17H,2H2,1H3;2*1H;/q+1;;;+2/p-2
InChIKeyQYBBRELTSQFJKF-UHFFFAOYSA-L
MW603.86 g/mol
LogP5.77
Rot. Bonds4

About diiodonickel;ethyl(triphenyl)phosphanium

diiodonickel;ethyl(triphenyl)phosphanium (PubChem CID 160550890) has the molecular formula C20H20I2NiP+ and a molecular weight of 603.86 g/mol. Its IUPAC name is diiodonickel;ethyl(triphenyl)phosphanium.

Molecular Properties

Compound Namediiodonickel;ethyl(triphenyl)phosphanium
PubChem CID160550890
Molecular FormulaC20H20I2NiP+
Molecular Weight603.86 g/mol
Exact Mass602.87
IUPAC Namediiodonickel;ethyl(triphenyl)phosphanium
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I[Ni]I
InChIInChI=1S/C20H20P.2HI.Ni/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h3-17H,2H2,1H3;2*1H;/q+1;;;+2/p-2
InChIKeyQYBBRELTSQFJKF-UHFFFAOYSA-L
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.86
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diiodonickel;ethyl(triphenyl)phosphanium?
The IUPAC name of diiodonickel;ethyl(triphenyl)phosphanium (CID 160550890) is diiodonickel;ethyl(triphenyl)phosphanium.
What is the SMILES notation for diiodonickel;ethyl(triphenyl)phosphanium?
The canonical SMILES for diiodonickel;ethyl(triphenyl)phosphanium is CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I[Ni]I.
What is the InChIKey of diiodonickel;ethyl(triphenyl)phosphanium?
The InChIKey is QYBBRELTSQFJKF-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H20P.2HI.Ni/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h3-17H,2H2,1H3;2*1H;/q+1;;;+2/p-2.
What are the key properties of diiodonickel;ethyl(triphenyl)phosphanium?
diiodonickel;ethyl(triphenyl)phosphanium has a molecular weight of 603.86 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diiodonickel;ethyl(triphenyl)phosphanium is sourced from PubChem (CID 160550890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).