bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

C152H122Dy4N10O24 — CID 139169674

IUPACbis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
SMILESCC(=N\O)/C([O-])=N/N=C/c1ccc2cccc([O-])c2n1.CC(=N\O)/C([O-])=N/N=C/c1ccc2cccc([O-])c2n1.CN(C)C=O.CN(C)C=O.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Dy+3].[Dy+3].[Dy+3].[Dy+3]
InChIInChI=1S/8C15H12O2.2C13H12N4O3.2C3H7NO.4Dy/c8*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-8(17-20)13(19)16-14-7-10-6-5-9-3-2-4-11(18)12(9)15-10;2*1-4(2)3-5;;;;/h8*1-11,16H;2*2-7,18,20H,1H3,(H,16,19);2*3H,1-2H3;;;;/q;;;;;;;;;;;;4*+3/p-12/b8*14-11-;2*14-7+,17-8+;;;;;;
InChIKeyXIELPIUAIKCAFT-CADZTMCXSA-B
MW3122.69 g/mol
LogP18.08
Rot. Bonds32

About bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) (PubChem CID 139169674) has the molecular formula C152H122Dy4N10O24 and a molecular weight of 3122.69 g/mol. Its IUPAC name is bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate).

Molecular Properties

Compound Namebis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
PubChem CID139169674
Molecular FormulaC152H122Dy4N10O24
Molecular Weight3122.69 g/mol
Exact Mass3126.58
IUPAC Namebis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
SMILESCC(=N\O)/C([O-])=N/N=C/c1ccc2cccc([O-])c2n1.CC(=N\O)/C([O-])=N/N=C/c1ccc2cccc([O-])c2n1.CN(C)C=O.CN(C)C=O.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Dy+3].[Dy+3].[Dy+3].[Dy+3]
InChIInChI=1S/8C15H12O2.2C13H12N4O3.2C3H7NO.4Dy/c8*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-8(17-20)13(19)16-14-7-10-6-5-9-3-2-4-11(18)12(9)15-10;2*1-4(2)3-5;;;;/h8*1-11,16H;2*2-7,18,20H,1H3,(H,16,19);2*3H,1-2H3;;;;/q;;;;;;;;;;;;4*+3/p-12/b8*14-11-;2*14-7+,17-8+;;;;;;
InChIKeyXIELPIUAIKCAFT-CADZTMCXSA-B
XLogP18.08
TPSA594.30 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms190
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003122.69
LogP ≤ 518.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The IUPAC name of bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) (CID 139169674) is bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate).
What is the SMILES notation for bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The canonical SMILES for bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) is CC(=N\O)/C([O-])=N/N=C/c1ccc2cccc([O-])c2n1.CC(=N\O)/C([O-])=N/N=C/c1ccc2cccc([O-])c2n1.CN(C)C=O.CN(C)C=O.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Dy+3].[Dy+3].[Dy+3].[Dy+3].
What is the InChIKey of bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The InChIKey is XIELPIUAIKCAFT-CADZTMCXSA-B. The full InChI is InChI=1S/8C15H12O2.2C13H12N4O3.2C3H7NO.4Dy/c8*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-8(17-20)13(19)16-14-7-10-6-5-9-3-2-4-11(18)12(9)15-10;2*1-4(2)3-5;;;;/h8*1-11,16H;2*2-7,18,20H,1H3,(H,16,19);2*3H,1-2H3;;;;/q;;;;;;;;;;;;4*+3/p-12/b8*14-11-;2*14-7+,17-8+;;;;;;.
What are the key properties of bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) has a molecular weight of 3122.69 g/mol, XLogP of 18.08, 32 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylformamide);tetrakis(dysprosium(3+));bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) is sourced from PubChem (CID 139169674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).