tricopper;hexakis(5,7-dimethylquinolin-8-olate)

C66H60Cu3N6O6 — CID 139040557

IUPACtricopper;hexakis(5,7-dimethylquinolin-8-olate)
SMILESCc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/6C11H11NO.3Cu/c6*1-7-6-8(2)11(13)10-9(7)4-3-5-12-10;;;/h6*3-6,13H,1-2H3;;;/q;;;;;;3*+2/p-6
InChIKeyOAGKKVAFOOOAQR-UHFFFAOYSA-H
MW1223.88 g/mol
LogP11.54
Rot. Bonds

About tricopper;hexakis(5,7-dimethylquinolin-8-olate)

tricopper;hexakis(5,7-dimethylquinolin-8-olate) (PubChem CID 139040557) has the molecular formula C66H60Cu3N6O6 and a molecular weight of 1223.88 g/mol. Its IUPAC name is tricopper;hexakis(5,7-dimethylquinolin-8-olate).

Molecular Properties

Compound Nametricopper;hexakis(5,7-dimethylquinolin-8-olate)
PubChem CID139040557
Molecular FormulaC66H60Cu3N6O6
Molecular Weight1223.88 g/mol
Exact Mass1221.25
IUPAC Nametricopper;hexakis(5,7-dimethylquinolin-8-olate)
SMILESCc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/6C11H11NO.3Cu/c6*1-7-6-8(2)11(13)10-9(7)4-3-5-12-10;;;/h6*3-6,13H,1-2H3;;;/q;;;;;;3*+2/p-6
InChIKeyOAGKKVAFOOOAQR-UHFFFAOYSA-H
XLogP11.54
TPSA215.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001223.88
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
CID 157251634
CID 157251634
[2,6-Bis(3,5-dimethylphenyl)phenoxy]-bis[(2-methylquinolin-8-yl)oxy]gallane;(2-tert-butylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]gallane;(2,6-ditert-butylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]gallane;(2,6-dimethyl-4-phenylphenoxy)-bis[[2-(trifluoromethyl)quinolin-8-yl]oxy]gallane
CID 157981729
5,7-Bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol
CID 160581931
(2E)-2-[(12Z)-2-[3,5-bis(trifluoromethyl)phenyl]-12-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;tri(quinolin-8-yloxy)alumane
CID 160838698
5,7-Bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;bis(5,7-dinaphthalen-1-ylquinolin-8-ol);bis(dioxotungsten)
CID 161054806
Methoxyoxobis(quinolin-8-olato-kappa^2^N,O)vanadium(V)
CID 139071859
Tetrakis(quinolin-8-olato-kappa^2^N,O)hafnium(IV) toluene disolvate
CID 139077805
Tetrakis(8-quinolinolato-kappa^2^N,O)hafnium(IV) dimethylformamide solvate monohydrate
CID 139078843
Tetrakis(5,7-dimethylquinolin-8-olato-kappa^2^N,O)hafnium(IV) dimethylformamide disolvate
CID 139082165
cyclo-Tetrakis{mu-N'-[(8-oxidoquinolin-7-yl)methylidene]isonicotinohydrazidato}tetrazinc tetrahydrate
CID 139083911
2,2,7-Triphenyl-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
CID 139089996

Frequently Asked Questions

What is the IUPAC name of tricopper;hexakis(5,7-dimethylquinolin-8-olate)?
The IUPAC name of tricopper;hexakis(5,7-dimethylquinolin-8-olate) (CID 139040557) is tricopper;hexakis(5,7-dimethylquinolin-8-olate).
What is the SMILES notation for tricopper;hexakis(5,7-dimethylquinolin-8-olate)?
The canonical SMILES for tricopper;hexakis(5,7-dimethylquinolin-8-olate) is Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].Cc1cc(C)c2cccnc2c1[O-].[Cu+2].[Cu+2].[Cu+2].
What is the InChIKey of tricopper;hexakis(5,7-dimethylquinolin-8-olate)?
The InChIKey is OAGKKVAFOOOAQR-UHFFFAOYSA-H. The full InChI is InChI=1S/6C11H11NO.3Cu/c6*1-7-6-8(2)11(13)10-9(7)4-3-5-12-10;;;/h6*3-6,13H,1-2H3;;;/q;;;;;;3*+2/p-6.
What are the key properties of tricopper;hexakis(5,7-dimethylquinolin-8-olate)?
tricopper;hexakis(5,7-dimethylquinolin-8-olate) has a molecular weight of 1223.88 g/mol, XLogP of 11.54, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;hexakis(5,7-dimethylquinolin-8-olate) is sourced from PubChem (CID 139040557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).