copper(1+);tris(triphenylphosphane);acetate

C56H48CuO2P3 — CID 56954258

IUPACcopper(1+);tris(triphenylphosphane);acetate
SMILESCC(=O)[O-].[Cu+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.C2H4O2.Cu/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4;/h3*1-15H;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyYOTUMURCPLKGMB-UHFFFAOYSA-M
MW909.47 g/mol
LogP9.09
Rot. Bonds9

About copper(1+);tris(triphenylphosphane);acetate

copper(1+);tris(triphenylphosphane);acetate (PubChem CID 56954258) has the molecular formula C56H48CuO2P3 and a molecular weight of 909.47 g/mol. Its IUPAC name is copper(1+);tris(triphenylphosphane);acetate.

Molecular Properties

Compound Namecopper(1+);tris(triphenylphosphane);acetate
PubChem CID56954258
Molecular FormulaC56H48CuO2P3
Molecular Weight909.47 g/mol
Exact Mass908.22
IUPAC Namecopper(1+);tris(triphenylphosphane);acetate
SMILESCC(=O)[O-].[Cu+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.C2H4O2.Cu/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4;/h3*1-15H;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyYOTUMURCPLKGMB-UHFFFAOYSA-M
XLogP9.09
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.47
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

copper(1+);bis(triphenylphosphane);acetate
CID 175797724
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CID 11554889
gold(3+);triphenylphosphane;triacetate
CID 160881940
propan-2-one;triphenylphosphane;hydrate
CID 118484852
acetic acid;triphenylphosphane;hydrochloride
CID 87530977
methoxymethanone;triphenylphosphane;diacetate
CID 160722488
acetic acid;chlororuthenium;tris(triphenylphosphane)
CID 172641403
acetic acid;carbon monoxide;ruthenium;bis(triphenylphosphane)
CID 11967474
N,N-dimethylacetamide;triphenylphosphane
CID 88649560
2-methylprop-2-enoic acid;triphenylphosphane
CID 173320900
acetic acid;carbon monoxide;manganese;triphenylphosphane
CID 134882790
acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane
CID 23229150

Frequently Asked Questions

What is the IUPAC name of copper(1+);tris(triphenylphosphane);acetate?
The IUPAC name of copper(1+);tris(triphenylphosphane);acetate (CID 56954258) is copper(1+);tris(triphenylphosphane);acetate.
What is the SMILES notation for copper(1+);tris(triphenylphosphane);acetate?
The canonical SMILES for copper(1+);tris(triphenylphosphane);acetate is CC(=O)[O-].[Cu+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of copper(1+);tris(triphenylphosphane);acetate?
The InChIKey is YOTUMURCPLKGMB-UHFFFAOYSA-M. The full InChI is InChI=1S/3C18H15P.C2H4O2.Cu/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4;/h3*1-15H;1H3,(H,3,4);/q;;;;+1/p-1.
What are the key properties of copper(1+);tris(triphenylphosphane);acetate?
copper(1+);tris(triphenylphosphane);acetate has a molecular weight of 909.47 g/mol, XLogP of 9.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);tris(triphenylphosphane);acetate is sourced from PubChem (CID 56954258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).