cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+)

C66H58CsN2O10Pr — CID 139136451

IUPACcesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+)
SMILESCN(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.[Cs+].[Pr+3]
InChIInChI=1S/4C15H12O2.2C3H7NO.Cs.Pr/c4*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-4(2)3-5;;/h4*1-11,16H;2*3H,1-2H3;;/q;;;;;;+1;+3/p-4/b4*14-11-;;;;
InChIKeyDYGLIJFWCOPHAR-ZBMLSMHHSA-J
MW1313.01 g/mol
LogP5.50
Rot. Bonds14

About cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+)

cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+) (PubChem CID 139136451) has the molecular formula C66H58CsN2O10Pr and a molecular weight of 1313.01 g/mol. Its IUPAC name is cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+).

Molecular Properties

Compound Namecesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+)
PubChem CID139136451
Molecular FormulaC66H58CsN2O10Pr
Molecular Weight1313.01 g/mol
Exact Mass1312.22
IUPAC Namecesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+)
SMILESCN(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.[Cs+].[Pr+3]
InChIInChI=1S/4C15H12O2.2C3H7NO.Cs.Pr/c4*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-4(2)3-5;;/h4*1-11,16H;2*3H,1-2H3;;/q;;;;;;+1;+3/p-4/b4*14-11-;;;;
InChIKeyDYGLIJFWCOPHAR-ZBMLSMHHSA-J
XLogP5.50
TPSA201.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001313.01
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Di-mu-hydroxido-bis[tris(4,4,4-trifluoro-1-phenylacetylacetonato-kappa^2^O,O')hafnium(IV)] dimethylformamide disolvate
CID 139082603
Cr2-dibenzoylmethane
CID 139068185
bis(cobalt(2+));bis(cobalt(3+));tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(oxygen(2-));decabenzoate
CID 139129595
tetrakis(N,N-dimethylformamide);bis(manganese(2+));bis(nickel(2+));bis(nickel(3+));bis(oxygen(2-));decabenzoate
CID 139129596
bis(manganese(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
CID 139134791
Di-mu-benzoato-kappa^3^O,O':O';kappa^3^O:O,O'-bis[aquabis(benzoato-kappa^2^O,O')(dimethylformamide-kappaO)europium(III)]
CID 168310114
bis(N,N-dimethylformamide);bis(erbium(3+));hexakis((Z)-3-oxo-1,3-bis(2,4,6-trimethylphenyl)prop-1-en-1-olate)
CID 168343638
SH7Dmf
CID 139194981

Frequently Asked Questions

What is the IUPAC name of cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+)?
The IUPAC name of cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+) (CID 139136451) is cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+).
What is the SMILES notation for cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+)?
The canonical SMILES for cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+) is 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.[Cs+].[Pr+3].
What is the InChIKey of cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+)?
The InChIKey is DYGLIJFWCOPHAR-ZBMLSMHHSA-J. The full InChI is InChI=1S/4C15H12O2.2C3H7NO.Cs.Pr/c4*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-4(2)3-5;;/h4*1-11,16H;2*3H,1-2H3;;/q;;;;;;+1;+3/p-4/b4*14-11-;;;;.
What are the key properties of cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+)?
cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+) has a molecular weight of 1313.01 g/mol, XLogP of 5.50, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;bis(N,N-dimethylformamide);tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);praseodymium(3+) is sourced from PubChem (CID 139136451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).