bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide

C80H78Cu2N2P6+6 — CID 11980496

IUPACbis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide
SMILES[C-]#N.[C-]#N.[Cu+].[Cu+].c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C26H24P2.2CN.2Cu/c3*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*1-2;;/h3*1-20H,21-22H2;;;;/q;;;2*-1;2*+1/p+6
InChIKeyVDCHFPJTMGPVGT-UHFFFAOYSA-T
MW1380.45 g/mol
LogP14.34
Rot. Bonds21

About bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide

bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide (PubChem CID 11980496) has the molecular formula C80H78Cu2N2P6+6 and a molecular weight of 1380.45 g/mol. Its IUPAC name is bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide.

Molecular Properties

Compound Namebis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide
PubChem CID11980496
Molecular FormulaC80H78Cu2N2P6+6
Molecular Weight1380.45 g/mol
Exact Mass1378.31
IUPAC Namebis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide
SMILES[C-]#N.[C-]#N.[Cu+].[Cu+].c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C26H24P2.2CN.2Cu/c3*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*1-2;;/h3*1-20H,21-22H2;;;;/q;;;2*-1;2*+1/p+6
InChIKeyVDCHFPJTMGPVGT-UHFFFAOYSA-T
XLogP14.34
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001380.45
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 6397995
CID 6397995
dichlorocobalt;2-diphenylphosphaniumylethyl(diphenyl)phosphanium
CID 6392659
bis(2-diphenylphosphaniumylethyl)-phenylphosphanium;chloroplatinum(1+)
CID 6392769
dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium
CID 6383237
cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+)
CID 11987308
bis(2-(dimethylamino)ethyl-diphenylphosphanium);palladium(2+)
CID 6393632
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499688
bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone
CID 153284876
(Z)-1,2-dicyanoethene-1,2-dithiolate;4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;nickel(2+)
CID 162414124
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))
CID 162499547
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene)
CID 162499722
carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium
CID 11987204

Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide?
The IUPAC name of bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide (CID 11980496) is bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide.
What is the SMILES notation for bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide?
The canonical SMILES for bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide is [C-]#N.[C-]#N.[Cu+].[Cu+].c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide?
The InChIKey is VDCHFPJTMGPVGT-UHFFFAOYSA-T. The full InChI is InChI=1S/3C26H24P2.2CN.2Cu/c3*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*1-2;;/h3*1-20H,21-22H2;;;;/q;;;2*-1;2*+1/p+6.
What are the key properties of bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide?
bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide has a molecular weight of 1380.45 g/mol, XLogP of 14.34, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide is sourced from PubChem (CID 11980496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).