copper;triphenylphosphane;diiodide

C18H15CuI2P — CID 175718696

IUPACcopper;triphenylphosphane;diiodide
SMILES[Cu+2].[I-].[I-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.Cu.2HI/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-15H;;2*1H/q;+2;;/p-2
InChIKeyNYJPLCCOZUGBIS-UHFFFAOYSA-L
MW579.65 g/mol
LogP-2.55
Rot. Bonds3

About copper;triphenylphosphane;diiodide

copper;triphenylphosphane;diiodide (PubChem CID 175718696) has the molecular formula C18H15CuI2P and a molecular weight of 579.65 g/mol. Its IUPAC name is copper;triphenylphosphane;diiodide.

Molecular Properties

Compound Namecopper;triphenylphosphane;diiodide
PubChem CID175718696
Molecular FormulaC18H15CuI2P
Molecular Weight579.65 g/mol
Exact Mass578.83
IUPAC Namecopper;triphenylphosphane;diiodide
SMILES[Cu+2].[I-].[I-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.Cu.2HI/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-15H;;2*1H/q;+2;;/p-2
InChIKeyNYJPLCCOZUGBIS-UHFFFAOYSA-L
XLogP-2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.65
LogP ≤ 5-2.55
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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Related Compounds

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CID 10122028
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CID 173282987
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
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Frequently Asked Questions

What is the IUPAC name of copper;triphenylphosphane;diiodide?
The IUPAC name of copper;triphenylphosphane;diiodide (CID 175718696) is copper;triphenylphosphane;diiodide.
What is the SMILES notation for copper;triphenylphosphane;diiodide?
The canonical SMILES for copper;triphenylphosphane;diiodide is [Cu+2].[I-].[I-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of copper;triphenylphosphane;diiodide?
The InChIKey is NYJPLCCOZUGBIS-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15P.Cu.2HI/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-15H;;2*1H/q;+2;;/p-2.
What are the key properties of copper;triphenylphosphane;diiodide?
copper;triphenylphosphane;diiodide has a molecular weight of 579.65 g/mol, XLogP of -2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;triphenylphosphane;diiodide is sourced from PubChem (CID 175718696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).