copper(1+);diphenylphosphane;hydride;triphenylphosphane

C30H27CuP2 — CID 122655243

IUPACcopper(1+);diphenylphosphane;hydride;triphenylphosphane
SMILES[Cu+].[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C18H15P.C12H11P.Cu.H/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-15H;1-10,13H;;/q;;+1;-1
InChIKeyPIQJDIIOTKJDDS-UHFFFAOYSA-N
MW513.04 g/mol
LogP5.87
Rot. Bonds5

About copper(1+);diphenylphosphane;hydride;triphenylphosphane

copper(1+);diphenylphosphane;hydride;triphenylphosphane (PubChem CID 122655243) has the molecular formula C30H27CuP2 and a molecular weight of 513.04 g/mol. Its IUPAC name is copper(1+);diphenylphosphane;hydride;triphenylphosphane.

Molecular Properties

Compound Namecopper(1+);diphenylphosphane;hydride;triphenylphosphane
PubChem CID122655243
Molecular FormulaC30H27CuP2
Molecular Weight513.04 g/mol
Exact Mass512.09
IUPAC Namecopper(1+);diphenylphosphane;hydride;triphenylphosphane
SMILES[Cu+].[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C18H15P.C12H11P.Cu.H/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-15H;1-10,13H;;/q;;+1;-1
InChIKeyPIQJDIIOTKJDDS-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.04
LogP ≤ 55.87
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

copper(1+);triphenylphosphane;bromide
CID 87491658
triphenylphosphane
CID 139056248
bis(diphenylphosphane);nickel
CID 172733587
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
diphenylphosphane;zinc
CID 160591319
triphenylphosphane;yttrium
CID 139917776
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359

Frequently Asked Questions

What is the IUPAC name of copper(1+);diphenylphosphane;hydride;triphenylphosphane?
The IUPAC name of copper(1+);diphenylphosphane;hydride;triphenylphosphane (CID 122655243) is copper(1+);diphenylphosphane;hydride;triphenylphosphane.
What is the SMILES notation for copper(1+);diphenylphosphane;hydride;triphenylphosphane?
The canonical SMILES for copper(1+);diphenylphosphane;hydride;triphenylphosphane is [Cu+].[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of copper(1+);diphenylphosphane;hydride;triphenylphosphane?
The InChIKey is PIQJDIIOTKJDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C12H11P.Cu.H/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-15H;1-10,13H;;/q;;+1;-1.
What are the key properties of copper(1+);diphenylphosphane;hydride;triphenylphosphane?
copper(1+);diphenylphosphane;hydride;triphenylphosphane has a molecular weight of 513.04 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);diphenylphosphane;hydride;triphenylphosphane is sourced from PubChem (CID 122655243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).