iodocopper;tris(triphenylphosphane)

C54H45CuIP3 — CID 11389026

IUPACiodocopper;tris(triphenylphosphane)
SMILES[Cu]I.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.Cu.HI/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;;1H/q;;;+1;/p-1
InChIKeyGQMWLWIPQUJUAY-UHFFFAOYSA-M
MW977.33 g/mol
LogP11.22
Rot. Bonds9

About iodocopper;tris(triphenylphosphane)

iodocopper;tris(triphenylphosphane) (PubChem CID 11389026) has the molecular formula C54H45CuIP3 and a molecular weight of 977.33 g/mol. Its IUPAC name is iodocopper;tris(triphenylphosphane).

Molecular Properties

Compound Nameiodocopper;tris(triphenylphosphane)
PubChem CID11389026
Molecular FormulaC54H45CuIP3
Molecular Weight977.33 g/mol
Exact Mass976.11
IUPAC Nameiodocopper;tris(triphenylphosphane)
SMILES[Cu]I.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.Cu.HI/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;;1H/q;;;+1;/p-1
InChIKeyGQMWLWIPQUJUAY-UHFFFAOYSA-M
XLogP11.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.33
LogP ≤ 511.22
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 iodocopper;tris(triphenylphosphane)?
The IUPAC name of iodocopper;tris(triphenylphosphane) (CID 11389026) is iodocopper;tris(triphenylphosphane).
What is the SMILES notation for iodocopper;tris(triphenylphosphane)?
The canonical SMILES for iodocopper;tris(triphenylphosphane) is [Cu]I.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of iodocopper;tris(triphenylphosphane)?
The InChIKey is GQMWLWIPQUJUAY-UHFFFAOYSA-M. The full InChI is InChI=1S/3C18H15P.Cu.HI/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;;1H/q;;;+1;/p-1.
What are the key properties of iodocopper;tris(triphenylphosphane)?
iodocopper;tris(triphenylphosphane) has a molecular weight of 977.33 g/mol, XLogP of 11.22, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodocopper;tris(triphenylphosphane) is sourced from PubChem (CID 11389026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).