copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol)

C68H70Cu2F6O4P4S2+4 — CID 6394940

IUPACcopper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol)
SMILESOC(CC(O)C(F)(F)F)c1cccs1.OC(CC(O)C(F)(F)F)c1cccs1.[Cu].[Cu].c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H24P2.2C8H9F3O2S.2Cu/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;;/h2*1-20H,21-22H2;2*1-3,5,7,12-13H,4H2;;/p+4
InChIKeyVLNANAWTYSWMLS-UHFFFAOYSA-R
MW1380.41 g/mol
LogP13.62
Rot. Bonds20

About copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol)

copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol) (PubChem CID 6394940) has the molecular formula C68H70Cu2F6O4P4S2+4 and a molecular weight of 1380.41 g/mol. Its IUPAC name is copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol).

Molecular Properties

Compound Namecopper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol)
PubChem CID6394940
Molecular FormulaC68H70Cu2F6O4P4S2+4
Molecular Weight1380.41 g/mol
Exact Mass1378.21
IUPAC Namecopper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol)
SMILESOC(CC(O)C(F)(F)F)c1cccs1.OC(CC(O)C(F)(F)F)c1cccs1.[Cu].[Cu].c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H24P2.2C8H9F3O2S.2Cu/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;;/h2*1-20H,21-22H2;2*1-3,5,7,12-13H,4H2;;/p+4
InChIKeyVLNANAWTYSWMLS-UHFFFAOYSA-R
XLogP13.62
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001380.41
LogP ≤ 513.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol)?
The IUPAC name of copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol) (CID 6394940) is copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol).
What is the SMILES notation for copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol)?
The canonical SMILES for copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol) is OC(CC(O)C(F)(F)F)c1cccs1.OC(CC(O)C(F)(F)F)c1cccs1.[Cu].[Cu].c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol)?
The InChIKey is VLNANAWTYSWMLS-UHFFFAOYSA-R. The full InChI is InChI=1S/2C26H24P2.2C8H9F3O2S.2Cu/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;;/h2*1-20H,21-22H2;2*1-3,5,7,12-13H,4H2;;/p+4.
What are the key properties of copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol)?
copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol) has a molecular weight of 1380.41 g/mol, XLogP of 13.62, 20 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol) is sourced from PubChem (CID 6394940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).