bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate

C84H78N12O16S4Yb2 — CID 139172346

IUPACbis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate
SMILESCc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/N=C(\[O-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/N=C(\[O-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/NC(=O)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/NC(=O)c2ccccc2)cc1.O.O.O.O.[Yb+3].[Yb+3]
InChIInChI=1S/2C21H19N3O3S.2C21H18N3O3S.4H2O.2Yb/c4*1-16-11-13-19(14-12-16)28(26,27)24-20-10-6-5-9-18(20)15-22-23-21(25)17-7-3-2-4-8-17;;;;;;/h2*2-15H,1H3,(H2,22,23,24,25);2*2-15H,1H3,(H-,22,23,24,25);4*1H2;;/q;;2*-1;;;;;2*+3/p-4
InChIKeyRGFFIARFWRRJGF-UHFFFAOYSA-J
MW1985.96 g/mol
LogP12.07
Rot. Bonds24

About bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate

bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate (PubChem CID 139172346) has the molecular formula C84H78N12O16S4Yb2 and a molecular weight of 1985.96 g/mol. Its IUPAC name is bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate.

Molecular Properties

Compound Namebis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate
PubChem CID139172346
Molecular FormulaC84H78N12O16S4Yb2
Molecular Weight1985.96 g/mol
Exact Mass1986.33
IUPAC Namebis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate
SMILESCc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/N=C(\[O-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/N=C(\[O-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/NC(=O)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/NC(=O)c2ccccc2)cc1.O.O.O.O.[Yb+3].[Yb+3]
InChIInChI=1S/2C21H19N3O3S.2C21H18N3O3S.4H2O.2Yb/c4*1-16-11-13-19(14-12-16)28(26,27)24-20-10-6-5-9-18(20)15-22-23-21(25)17-7-3-2-4-8-17;;;;;;/h2*2-15H,1H3,(H2,22,23,24,25);2*2-15H,1H3,(H-,22,23,24,25);4*1H2;;/q;;2*-1;;;;;2*+3/p-4
InChIKeyRGFFIARFWRRJGF-UHFFFAOYSA-J
XLogP12.07
TPSA497.44 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001985.96
LogP ≤ 512.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

[2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 162787088
sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide
CID 134876566
2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5418070
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 135606823
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
CID 135489914
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
tetracopper;bis(2,6-bis[(E)-(benzoylhydrazinylidene)methyl]-4-methylphenolate);methanolate;dinitrate
CID 139141318
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110509126
[2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)
CID 50911654

Frequently Asked Questions

What is the IUPAC name of bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate?
The IUPAC name of bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate (CID 139172346) is bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate.
What is the SMILES notation for bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate?
The canonical SMILES for bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate is Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/N=C(\[O-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/N=C(\[O-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/NC(=O)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/NC(=O)c2ccccc2)cc1.O.O.O.O.[Yb+3].[Yb+3].
What is the InChIKey of bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate?
The InChIKey is RGFFIARFWRRJGF-UHFFFAOYSA-J. The full InChI is InChI=1S/2C21H19N3O3S.2C21H18N3O3S.4H2O.2Yb/c4*1-16-11-13-19(14-12-16)28(26,27)24-20-10-6-5-9-18(20)15-22-23-21(25)17-7-3-2-4-8-17;;;;;;/h2*2-15H,1H3,(H2,22,23,24,25);2*2-15H,1H3,(H-,22,23,24,25);4*1H2;;/q;;2*-1;;;;;2*+3/p-4.
What are the key properties of bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate?
bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate has a molecular weight of 1985.96 g/mol, XLogP of 12.07, 24 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate is sourced from PubChem (CID 139172346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).