copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate

C52H40CuF6N4P — CID 139134165

IUPACcopper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate
SMILESCc1cc(-c2ccccc2)nc2c1ccc1c(C)cc(-c3ccccc3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1c(C)cc(-c3ccccc3)nc12.F[P-](F)(F)(F)(F)F.[Cu+]
InChIInChI=1S/2C26H20N2.Cu.F6P/c2*1-17-15-23(19-9-5-3-6-10-19)27-25-21(17)13-14-22-18(2)16-24(28-26(22)25)20-11-7-4-8-12-20;;1-7(2,3,4,5)6/h2*3-16H,1-2H3;;/q;;+1;-1
InChIKeyFGJRLKFYMUHYAD-UHFFFAOYSA-N
MW929.43 g/mol
LogP16.85
Rot. Bonds4

About copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate

copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate (PubChem CID 139134165) has the molecular formula C52H40CuF6N4P and a molecular weight of 929.43 g/mol. Its IUPAC name is copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate.

Molecular Properties

Compound Namecopper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate
PubChem CID139134165
Molecular FormulaC52H40CuF6N4P
Molecular Weight929.43 g/mol
Exact Mass928.22
IUPAC Namecopper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate
SMILESCc1cc(-c2ccccc2)nc2c1ccc1c(C)cc(-c3ccccc3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1c(C)cc(-c3ccccc3)nc12.F[P-](F)(F)(F)(F)F.[Cu+]
InChIInChI=1S/2C26H20N2.Cu.F6P/c2*1-17-15-23(19-9-5-3-6-10-19)27-25-21(17)13-14-22-18(2)16-24(28-26(22)25)20-11-7-4-8-12-20;;1-7(2,3,4,5)6/h2*3-16H,1-2H3;;/q;;+1;-1
InChIKeyFGJRLKFYMUHYAD-UHFFFAOYSA-N
XLogP16.85
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.43
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate?
The IUPAC name of copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate (CID 139134165) is copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate.
What is the SMILES notation for copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate?
The canonical SMILES for copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate is Cc1cc(-c2ccccc2)nc2c1ccc1c(C)cc(-c3ccccc3)nc12.Cc1cc(-c2ccccc2)nc2c1ccc1c(C)cc(-c3ccccc3)nc12.F[P-](F)(F)(F)(F)F.[Cu+].
What is the InChIKey of copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate?
The InChIKey is FGJRLKFYMUHYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H20N2.Cu.F6P/c2*1-17-15-23(19-9-5-3-6-10-19)27-25-21(17)13-14-22-18(2)16-24(28-26(22)25)20-11-7-4-8-12-20;;1-7(2,3,4,5)6/h2*3-16H,1-2H3;;/q;;+1;-1.
What are the key properties of copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate?
copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate has a molecular weight of 929.43 g/mol, XLogP of 16.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis(4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline);hexafluorophosphate is sourced from PubChem (CID 139134165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).