bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate

C28H12CuF18N4P — CID 139130761

IUPACbis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate
SMILESFC(F)(F)c1ccc2ccc3ccc(C(F)(F)F)nc3c2n1.FC(F)(F)c1ccc2ccc3ccc(C(F)(F)F)nc3c2n1.F[P-](F)(F)(F)(F)F.[Cu+]
InChIInChI=1S/2C14H6F6N2.Cu.F6P/c2*15-13(16,17)9-5-3-7-1-2-8-4-6-10(14(18,19)20)22-12(8)11(7)21-9;;1-7(2,3,4,5)6/h2*1-6H;;/q;;+1;-1
InChIKeySYCANMRPNMYCKG-UHFFFAOYSA-N
MW840.92 g/mol
LogP13.02
Rot. Bonds

About bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate

bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate (PubChem CID 139130761) has the molecular formula C28H12CuF18N4P and a molecular weight of 840.92 g/mol. Its IUPAC name is bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate.

Molecular Properties

Compound Namebis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate
PubChem CID139130761
Molecular FormulaC28H12CuF18N4P
Molecular Weight840.92 g/mol
Exact Mass839.98
IUPAC Namebis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate
SMILESFC(F)(F)c1ccc2ccc3ccc(C(F)(F)F)nc3c2n1.FC(F)(F)c1ccc2ccc3ccc(C(F)(F)F)nc3c2n1.F[P-](F)(F)(F)(F)F.[Cu+]
InChIInChI=1S/2C14H6F6N2.Cu.F6P/c2*15-13(16,17)9-5-3-7-1-2-8-4-6-10(14(18,19)20)22-12(8)11(7)21-9;;1-7(2,3,4,5)6/h2*1-6H;;/q;;+1;-1
InChIKeySYCANMRPNMYCKG-UHFFFAOYSA-N
XLogP13.02
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.92
LogP ≤ 513.02
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'}

Analyze bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper(I) bis(2,9-dimethyl-1,10-phenanthroline)
CID 167999
Copper(1+), bis(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-N1,N10)-
CID 461589
Bis(1,10-phenanthroline)palladium(II) Bis(hexafluorophosphate)
CID 46192367
Neocuproine hemihydrate
CID 67652146
CID 140913198
CID 140913198
Copper-neocuproine complex
CID 65236
2,9-Bis(trifluoromethyl)-1,10-phenanthroline
CID 10425866
[2,3,4,7,8,9-Me6Phenan]2 Cu+
CID 461586
[4-Phenylneocuproine]2 Cu+
CID 461588
Bis(1,10-phenanthroline)platinum(II)
CID 162394466
6-[4-(Trifluoromethyl)phenyl]indolo[1,2-a]quinoxaline
CID 56925609
4,7-Bis(3,5-bis(trifluoromethyl)phenyl)-2,9-dimethyl-1,10-phenanthroline
CID 132595321

Frequently Asked Questions

What is the IUPAC name of bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate?
The IUPAC name of bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate (CID 139130761) is bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate.
What is the SMILES notation for bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate?
The canonical SMILES for bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate is FC(F)(F)c1ccc2ccc3ccc(C(F)(F)F)nc3c2n1.FC(F)(F)c1ccc2ccc3ccc(C(F)(F)F)nc3c2n1.F[P-](F)(F)(F)(F)F.[Cu+].
What is the InChIKey of bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate?
The InChIKey is SYCANMRPNMYCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H6F6N2.Cu.F6P/c2*15-13(16,17)9-5-3-7-1-2-8-4-6-10(14(18,19)20)22-12(8)11(7)21-9;;1-7(2,3,4,5)6/h2*1-6H;;/q;;+1;-1.
What are the key properties of bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate?
bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate has a molecular weight of 840.92 g/mol, XLogP of 13.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate is sourced from PubChem (CID 139130761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).