chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate)

C92H110Cl6Gd4N12O28 — CID 139140295

IUPACchloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].COc1cccc(/C=N/NC(=O)c2cccc(CO)n2)c1[O-].COc1cccc(/C=N\N=C(\[O-])c2cccc(CO)n2)c1[O-].COc1cccc(/C=N\N=C(\[O-])c2cccc(CO)n2)c1[O-].COc1cccc(/C=N\NC(=O)c2cccc(CO)n2)c1[O-].ClC(Cl)Cl.ClC(Cl)Cl.[Gd+3].[Gd+3].[Gd+3].[Gd+3]
InChIInChI=1S/4C15H15N3O4.6C5H10O2.2CHCl3.4Gd/c4*1-22-13-7-2-4-10(14(13)20)8-16-18-15(21)12-6-3-5-11(9-19)17-12;6*1-5(2,3)4(6)7;2*2-1(3)4;;;;/h4*2-8,19-20H,9H2,1H3,(H,18,21);6*1-3H3,(H,6,7);2*1H;;;;/q;;;;;;;;;;;;4*+3/p-12/b16-8+;3*16-8-;;;;;;;;;;;;
InChIKeyNAMVCAUZTNYGRT-KRGMZBIKSA-B
MW2673.67 g/mol
LogP3.10
Rot. Bonds20

About chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate)

chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate) (PubChem CID 139140295) has the molecular formula C92H110Cl6Gd4N12O28 and a molecular weight of 2673.67 g/mol. Its IUPAC name is chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate).

Molecular Properties

Compound Namechloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate)
PubChem CID139140295
Molecular FormulaC92H110Cl6Gd4N12O28
Molecular Weight2673.67 g/mol
Exact Mass2672.26
IUPAC Namechloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].COc1cccc(/C=N/NC(=O)c2cccc(CO)n2)c1[O-].COc1cccc(/C=N\N=C(\[O-])c2cccc(CO)n2)c1[O-].COc1cccc(/C=N\N=C(\[O-])c2cccc(CO)n2)c1[O-].COc1cccc(/C=N\NC(=O)c2cccc(CO)n2)c1[O-].ClC(Cl)Cl.ClC(Cl)Cl.[Gd+3].[Gd+3].[Gd+3].[Gd+3]
InChIInChI=1S/4C15H15N3O4.6C5H10O2.2CHCl3.4Gd/c4*1-22-13-7-2-4-10(14(13)20)8-16-18-15(21)12-6-3-5-11(9-19)17-12;6*1-5(2,3)4(6)7;2*2-1(3)4;;;;/h4*2-8,19-20H,9H2,1H3,(H,18,21);6*1-3H3,(H,6,7);2*1H;;;;/q;;;;;;;;;;;;4*+3/p-12/b16-8+;3*16-8-;;;;;;;;;;;;
InChIKeyNAMVCAUZTNYGRT-KRGMZBIKSA-B
XLogP3.10
TPSA680.90 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002673.67
LogP ≤ 53.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate) with MolForge

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Related Compounds

dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate
CID 139162468
tris(2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate);bis(manganese(2+));methanol;perchlorate
CID 139078944
tris(2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate);bis(dysprosium(3+));ethanol;triisothiocyanate
CID 139140670
octakis(holmium(3+));octakis(2-methoxy-6-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenolate);tetrakis(oxygen(2-));tetraacetate;dicarbonate
CID 139179069
chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 139060030
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
methanol;bis(2-methoxy-6-[(E)-[(E)-(3-methoxy-2-oxidophenyl)methylidenehydrazinylidene]methyl]phenolate);nickel(2+);nickel(3+);yttrium;yttrium(3+);hexabenzoate
CID 139045398
N-[(Z)-(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 9015602
2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate;bis(N,N-dimethylformamide);dysprosium(3+);dinitrate
CID 139158912
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 136750123
zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)
CID 139072510

Frequently Asked Questions

What is the IUPAC name of chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate)?
The IUPAC name of chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate) (CID 139140295) is chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate).
What is the SMILES notation for chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate)?
The canonical SMILES for chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate) is CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].COc1cccc(/C=N/NC(=O)c2cccc(CO)n2)c1[O-].COc1cccc(/C=N\N=C(\[O-])c2cccc(CO)n2)c1[O-].COc1cccc(/C=N\N=C(\[O-])c2cccc(CO)n2)c1[O-].COc1cccc(/C=N\NC(=O)c2cccc(CO)n2)c1[O-].ClC(Cl)Cl.ClC(Cl)Cl.[Gd+3].[Gd+3].[Gd+3].[Gd+3].
What is the InChIKey of chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate)?
The InChIKey is NAMVCAUZTNYGRT-KRGMZBIKSA-B. The full InChI is InChI=1S/4C15H15N3O4.6C5H10O2.2CHCl3.4Gd/c4*1-22-13-7-2-4-10(14(13)20)8-16-18-15(21)12-6-3-5-11(9-19)17-12;6*1-5(2,3)4(6)7;2*2-1(3)4;;;;/h4*2-8,19-20H,9H2,1H3,(H,18,21);6*1-3H3,(H,6,7);2*1H;;;;/q;;;;;;;;;;;;4*+3/p-12/b16-8+;3*16-8-;;;;;;;;;;;;.
What are the key properties of chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate)?
chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate) has a molecular weight of 2673.67 g/mol, XLogP of 3.10, 20 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate) is sourced from PubChem (CID 139140295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).