dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide

C42H40Cu2F12N4O2 — CID 139126708

IUPACdicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide
SMILESCc1cccc(C)c1/N=C(/C=C(\[N-]c1c(C)cccc1C)C(F)(F)F)C(F)(F)F.Cc1cccc(C)c1/N=C(/C=C(\[N-]c1c(C)cccc1C)C(F)(F)F)C(F)(F)F.[Cu+2].[Cu+2].[OH-].[OH-]
InChIInChI=1S/2C21H19F6N2.2Cu.2H2O/c2*1-12-7-5-8-13(2)18(12)28-16(20(22,23)24)11-17(21(25,26)27)29-19-14(3)9-6-10-15(19)4;;;;/h2*5-11H,1-4H3;;;2*1H2/q2*-1;2*+2;;/p-2/b2*16-11-,29-17-;;;;
InChIKeyAIEMWIOLFYQZCC-VTBJSMNXSA-L
MW987.88 g/mol
LogP15.05
Rot. Bonds8

About dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide

dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide (PubChem CID 139126708) has the molecular formula C42H40Cu2F12N4O2 and a molecular weight of 987.88 g/mol. Its IUPAC name is dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide.

Molecular Properties

Compound Namedicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide
PubChem CID139126708
Molecular FormulaC42H40Cu2F12N4O2
Molecular Weight987.88 g/mol
Exact Mass986.16
IUPAC Namedicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide
SMILESCc1cccc(C)c1/N=C(/C=C(\[N-]c1c(C)cccc1C)C(F)(F)F)C(F)(F)F.Cc1cccc(C)c1/N=C(/C=C(\[N-]c1c(C)cccc1C)C(F)(F)F)C(F)(F)F.[Cu+2].[Cu+2].[OH-].[OH-]
InChIInChI=1S/2C21H19F6N2.2Cu.2H2O/c2*1-12-7-5-8-13(2)18(12)28-16(20(22,23)24)11-17(21(25,26)27)29-19-14(3)9-6-10-15(19)4;;;;/h2*5-11H,1-4H3;;;2*1H2/q2*-1;2*+2;;/p-2/b2*16-11-,29-17-;;;;
InChIKeyAIEMWIOLFYQZCC-VTBJSMNXSA-L
XLogP15.05
TPSA112.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.88
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bromonickel;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide)
CID 139240430
acetonitrile;copper(1+);(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide
CID 139126707
copper;copper(1+);bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);nitrite
CID 139187258
benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide
CID 162414801
[2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
CID 177489301
cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene
CID 139119034
carbanide;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 50907029
carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 146156712
bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+))
CID 139118896
2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 10979726
acetonitrile;copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
CID 139152919
1-[N-(2,6-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]cyclohexan-1-ol
CID 11120097

Frequently Asked Questions

What is the IUPAC name of dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide?
The IUPAC name of dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide (CID 139126708) is dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide.
What is the SMILES notation for dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide?
The canonical SMILES for dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide is Cc1cccc(C)c1/N=C(/C=C(\[N-]c1c(C)cccc1C)C(F)(F)F)C(F)(F)F.Cc1cccc(C)c1/N=C(/C=C(\[N-]c1c(C)cccc1C)C(F)(F)F)C(F)(F)F.[Cu+2].[Cu+2].[OH-].[OH-].
What is the InChIKey of dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide?
The InChIKey is AIEMWIOLFYQZCC-VTBJSMNXSA-L. The full InChI is InChI=1S/2C21H19F6N2.2Cu.2H2O/c2*1-12-7-5-8-13(2)18(12)28-16(20(22,23)24)11-17(21(25,26)27)29-19-14(3)9-6-10-15(19)4;;;;/h2*5-11H,1-4H3;;;2*1H2/q2*-1;2*+2;;/p-2/b2*16-11-,29-17-;;;;.
What are the key properties of dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide?
dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide has a molecular weight of 987.88 g/mol, XLogP of 15.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide is sourced from PubChem (CID 139126708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).