bis(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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)

C156H128Ho4N12O24 — CID 139169675

About bis(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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 139169675) has the molecular formula C156H128Ho4N12O24 and a molecular weight of 3214.52 g/mol. Its IUPAC name is bis(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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 Name: bis(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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: 139169675
• Molecular Formula: C156H128Ho4N12O24
• Molecular Weight: 3214.52 g/mol
• Exact Mass: 3212.64
• IUPAC Name: bis(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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)
• SMILES: CC#N.CC#N.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.[Ho+3].[Ho+3].[Ho+3].[Ho+3]
• InChI: InChI=1S/8C15H12O2.2C13H12N4O3.2C3H7NO.2C2H3N.4Ho/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;2*1-2-3;;;;/h8*1-11,16H;2*2-7,18,20H,1H3,(H,16,19);2*3H,1-2H3;2*1H3;;;;/q;;;;;;;;;;;;;;4*+3/p-12/b8*14-11-;2*14-7+,17-8+
• InChIKey: FYIPKKBXSSCHCV-WYPRPJFHSA-B
• XLogP: 19.14
• TPSA: 641.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3214.52
LogP ≤ 5	19.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

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'}

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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 139169675) is bis(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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.CC#N.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.[Ho+3].[Ho+3].[Ho+3].[Ho+3].

What is the InChIKey of bis(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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 FYIPKKBXSSCHCV-WYPRPJFHSA-B. The full InChI is InChI=1S/8C15H12O2.2C13H12N4O3.2C3H7NO.2C2H3N.4Ho/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;2*1-2-3;;;;/h8*1-11,16H;2*2-7,18,20H,1H3,(H,16,19);2*3H,1-2H3;2*1H3;;;;/q;;;;;;;;;;;;;;4*+3/p-12/b8*14-11-;2*14-7+,17-8+;;;;;;;;.

What are the key properties of bis(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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 3214.52 g/mol, XLogP of 19.14, 32 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acetonitrile);bis(N,N-dimethylformamide);tetrakis(holmium(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 139169675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).