copper;hexakis(triphenylphosphane)

C108H90Cu6P6 — CID 11982471

IUPACcopper;hexakis(triphenylphosphane)
SMILES[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C18H15P.6Cu/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;/h6*1-15H;;;;;;
InChIKeyKVBHFBAACGHMKE-UHFFFAOYSA-N
MW1955.03 g/mol
LogP20.65
Rot. Bonds18

About copper;hexakis(triphenylphosphane)

copper;hexakis(triphenylphosphane) (PubChem CID 11982471) has the molecular formula C108H90Cu6P6 and a molecular weight of 1955.03 g/mol. Its IUPAC name is copper;hexakis(triphenylphosphane).

Molecular Properties

Compound Namecopper;hexakis(triphenylphosphane)
PubChem CID11982471
Molecular FormulaC108H90Cu6P6
Molecular Weight1955.03 g/mol
Exact Mass1950.12
IUPAC Namecopper;hexakis(triphenylphosphane)
SMILES[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C18H15P.6Cu/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;/h6*1-15H;;;;;;
InChIKeyKVBHFBAACGHMKE-UHFFFAOYSA-N
XLogP20.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001955.03
LogP ≤ 520.65
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

Tetraphenylphosphonium
CID 164912
Tetrakis(triphenylphosphine)palladium
CID 11979704
Nickel, dichlorobis(triphenylphosphine)-
CID 498315
Bis(triphenylphosphine)dicarbonylnickel
CID 16211556
Nickel;triphenylphosphane;dihydrochloride
CID 134991335
Hexaphenylditin
CID 6327129
Hexaphenyldilead
CID 6327846
Tetraphenylphosphonium Bromide
CID 2724163
1,2-Bis(diphenylphosphino)ethane
CID 74267
Bis(triphenylphosphine)nickel(II) chloride
CID 171039968
Bis(triphenylphosphine)nickel dichloride
CID 6332751
Dichlorobis(triphenylphosphine)palladium
CID 6102075

Frequently Asked Questions

What is the IUPAC name of copper;hexakis(triphenylphosphane)?
The IUPAC name of copper;hexakis(triphenylphosphane) (CID 11982471) is copper;hexakis(triphenylphosphane).
What is the SMILES notation for copper;hexakis(triphenylphosphane)?
The canonical SMILES for copper;hexakis(triphenylphosphane) is [Cu].[Cu].[Cu].[Cu].[Cu].[Cu].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of copper;hexakis(triphenylphosphane)?
The InChIKey is KVBHFBAACGHMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/6C18H15P.6Cu/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;/h6*1-15H;;;;;;.
What are the key properties of copper;hexakis(triphenylphosphane)?
copper;hexakis(triphenylphosphane) has a molecular weight of 1955.03 g/mol, XLogP of 20.65, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;hexakis(triphenylphosphane) is sourced from PubChem (CID 11982471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).