iodocopper;triphenylphosphane

C18H15CuIP — CID 12549340

IUPACiodocopper;triphenylphosphane
SMILES[Cu]I.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.Cu.HI/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;;1H/q;+1;/p-1
InChIKeyDKGJFOQMRCRRSL-UHFFFAOYSA-M
MW452.74 g/mol
LogP4.33
Rot. Bonds3

About iodocopper;triphenylphosphane

iodocopper;triphenylphosphane (PubChem CID 12549340) has the molecular formula C18H15CuIP and a molecular weight of 452.74 g/mol. Its IUPAC name is iodocopper;triphenylphosphane.

Molecular Properties

Compound Nameiodocopper;triphenylphosphane
PubChem CID12549340
Molecular FormulaC18H15CuIP
Molecular Weight452.74 g/mol
Exact Mass451.93
IUPAC Nameiodocopper;triphenylphosphane
SMILES[Cu]I.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.Cu.HI/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;;1H/q;+1;/p-1
InChIKeyDKGJFOQMRCRRSL-UHFFFAOYSA-M
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.74
LogP ≤ 54.33
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

triphenylphosphane
CID 139056248
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
CID 87948921
CID 87948921
triphenylphosphane;octahydrochloride
CID 172751742

Frequently Asked Questions

What is the IUPAC name of iodocopper;triphenylphosphane?
The IUPAC name of iodocopper;triphenylphosphane (CID 12549340) is iodocopper;triphenylphosphane.
What is the SMILES notation for iodocopper;triphenylphosphane?
The canonical SMILES for iodocopper;triphenylphosphane is [Cu]I.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of iodocopper;triphenylphosphane?
The InChIKey is DKGJFOQMRCRRSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15P.Cu.HI/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;;1H/q;+1;/p-1.
What are the key properties of iodocopper;triphenylphosphane?
iodocopper;triphenylphosphane has a molecular weight of 452.74 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodocopper;triphenylphosphane is sourced from PubChem (CID 12549340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).