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

C162H138N14O24Tb4 — CID 139169678

IUPAChexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))
SMILESCC#N.CC#N.CC#N.CC#N.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.CCO.CCO.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.[Tb+3].[Tb+3].[Tb+3].[Tb+3]
InChIInChI=1S/8C15H12O2.2C13H12N4O3.6C2H3N.2C2H6O.4Tb/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;8*1-2-3;;;;/h8*1-11,16H;2*2-7,18,20H,1H3,(H,16,19);6*1H3;2*3H,2H2,1H3;;;;/q;;;;;;;;;;;;;;;;;;4*+3/p-12/b8*14-11-;2*14-7+,17-8+;;;;;;;;;;;;
InChIKeySHHAMASBAYSYPB-QSTLSZBGSA-B
MW3300.66 g/mol
LogP21.84
Rot. Bonds30

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

hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)) (PubChem CID 139169678) has the molecular formula C162H138N14O24Tb4 and a molecular weight of 3300.66 g/mol. Its IUPAC name is hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)).

Molecular Properties

Compound Namehexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))
PubChem CID139169678
Molecular FormulaC162H138N14O24Tb4
Molecular Weight3300.66 g/mol
Exact Mass3298.70
IUPAC Namehexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))
SMILESCC#N.CC#N.CC#N.CC#N.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.CCO.CCO.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.[Tb+3].[Tb+3].[Tb+3].[Tb+3]
InChIInChI=1S/8C15H12O2.2C13H12N4O3.6C2H3N.2C2H6O.4Tb/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;8*1-2-3;;;;/h8*1-11,16H;2*2-7,18,20H,1H3,(H,16,19);6*1H3;2*3H,2H2,1H3;;;;/q;;;;;;;;;;;;;;;;;;4*+3/p-12/b8*14-11-;2*14-7+,17-8+;;;;;;;;;;;;
InChIKeySHHAMASBAYSYPB-QSTLSZBGSA-B
XLogP21.84
TPSA736.88 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003300.66
LogP ≤ 521.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))?
The IUPAC name of hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)) (CID 139169678) is hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)).
What is the SMILES notation for hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))?
The canonical SMILES for hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)) is CC#N.CC#N.CC#N.CC#N.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.CCO.CCO.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.[Tb+3].[Tb+3].[Tb+3].[Tb+3].
What is the InChIKey of hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))?
The InChIKey is SHHAMASBAYSYPB-QSTLSZBGSA-B. The full InChI is InChI=1S/8C15H12O2.2C13H12N4O3.6C2H3N.2C2H6O.4Tb/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;8*1-2-3;;;;/h8*1-11,16H;2*2-7,18,20H,1H3,(H,16,19);6*1H3;2*3H,2H2,1H3;;;;/q;;;;;;;;;;;;;;;;;;4*+3/p-12/b8*14-11-;2*14-7+,17-8+;;;;;;;;;;;;.
What are the key properties of hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))?
hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)) has a molecular weight of 3300.66 g/mol, XLogP of 21.84, 30 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)) is sourced from PubChem (CID 139169678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).