dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+)

C61H57N9O8UZn2 — CID 139180848

IUPACdizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+)
SMILESCC(C)(C/N=C/c1cccc([O-])c1[O-])[N-]/C=C1/C=CC=C([O-])C1=O.CC(C)(C/N=C\c1cccc([O-])c1[O-])/N=C\c1cccc([O-])c1[O-].[U+4].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C18H20N2O4.5C5H5N.U.2Zn/c2*1-18(2,20-10-13-6-4-8-15(22)17(13)24)11-19-9-12-5-3-7-14(21)16(12)23;5*1-2-4-6-5-3-1;;;/h3-10H,11H2,1-2H3,(H4,19,20,21,22,23,24);3-10,21-24H,11H2,1-2H3;5*1-5H;;;/q;;;;;;;+4;2*+2/p-8/b;19-9-,20-10-;;;;;;;;
InChIKeyVXJCFCIANIASKJ-SCEXIWLLSA-F
MW1412.99 g/mol
LogP6.37
Rot. Bonds10

About dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+)

dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+) (PubChem CID 139180848) has the molecular formula C61H57N9O8UZn2 and a molecular weight of 1412.99 g/mol. Its IUPAC name is dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+).

Molecular Properties

Compound Namedizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+)
PubChem CID139180848
Molecular FormulaC61H57N9O8UZn2
Molecular Weight1412.99 g/mol
Exact Mass1409.34
IUPAC Namedizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+)
SMILESCC(C)(C/N=C/c1cccc([O-])c1[O-])[N-]/C=C1/C=CC=C([O-])C1=O.CC(C)(C/N=C\c1cccc([O-])c1[O-])/N=C\c1cccc([O-])c1[O-].[U+4].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C18H20N2O4.5C5H5N.U.2Zn/c2*1-18(2,20-10-13-6-4-8-15(22)17(13)24)11-19-9-12-5-3-7-14(21)16(12)23;5*1-2-4-6-5-3-1;;;/h3-10H,11H2,1-2H3,(H4,19,20,21,22,23,24);3-10,21-24H,11H2,1-2H3;5*1-5H;;;/q;;;;;;;+4;2*+2/p-8/b;19-9-,20-10-;;;;;;;;
InChIKeyVXJCFCIANIASKJ-SCEXIWLLSA-F
XLogP6.37
TPSA294.12 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001412.99
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+) with MolForge

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Related Compounds

bis(mu-3,5-di-tert-butylcatecholato-O^1^:O^1^,O^2^)bis[tripyridinecadmium(II)] dipyridine solvate
CID 139058293
Dizinc;bis(3-[[2-[(2,3-dioxidophenyl)methylideneamino]phenyl]iminomethyl]benzene-1,2-diolate);pentakis(pyridine);uranium(4+)
CID 139138224
Dizinc;bis(3-[4-[(2,3-dioxidophenyl)methylideneamino]butyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);uranium(4+)
CID 139138226
Tetracopper;tetrakis(3-[3-[(2,3-dioxidophenyl)methylideneamino]propyliminomethyl]benzene-1,2-diolate);tetrakis(pyridine);bis(uranium(4+))
CID 139155248
tetrakis((NE,2Z)-N-[(2,3-dioxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(ytterbium(3+))
CID 168342856

Frequently Asked Questions

What is the IUPAC name of dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+)?
The IUPAC name of dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+) (CID 139180848) is dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+).
What is the SMILES notation for dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+)?
The canonical SMILES for dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+) is CC(C)(C/N=C/c1cccc([O-])c1[O-])[N-]/C=C1/C=CC=C([O-])C1=O.CC(C)(C/N=C\c1cccc([O-])c1[O-])/N=C\c1cccc([O-])c1[O-].[U+4].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+)?
The InChIKey is VXJCFCIANIASKJ-SCEXIWLLSA-F. The full InChI is InChI=1S/2C18H20N2O4.5C5H5N.U.2Zn/c2*1-18(2,20-10-13-6-4-8-15(22)17(13)24)11-19-9-12-5-3-7-14(21)16(12)23;5*1-2-4-6-5-3-1;;;/h3-10H,11H2,1-2H3,(H4,19,20,21,22,23,24);3-10,21-24H,11H2,1-2H3;5*1-5H;;;/q;;;;;;;+4;2*+2/p-8/b;19-9-,20-10-;;;;;;;;.
What are the key properties of dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+)?
dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+) has a molecular weight of 1412.99 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;3-[[2-[(2,3-dioxidophenyl)methylideneamino]-2-methylpropyl]iminomethyl]benzene-1,2-diolate;3-[[2-methyl-2-[(Z)-(5-oxido-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]azanidylpropyl]iminomethyl]benzene-1,2-diolate;pentakis(pyridine);uranium(4+) is sourced from PubChem (CID 139180848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).