bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

C62H50Cr2O10 — CID 139068185

IUPACbis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
SMILESC[O-].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.[Cr+3].[Cr+3]
InChIInChI=1S/4C15H12O2.2CH3O.2Cr/c4*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2;;/h4*1-11,16H;2*1H3;;/q;;;;2*-1;2*+3/p-4/b4*14-11-;;;;
InChIKeyZKIKWAWVWHFDSP-ZBMLSMHHSA-J
MW1059.06 g/mol
LogP7.03
Rot. Bonds12

About bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) (PubChem CID 139068185) has the molecular formula C62H50Cr2O10 and a molecular weight of 1059.06 g/mol. Its IUPAC name is bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate).

Molecular Properties

Compound Namebis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
PubChem CID139068185
Molecular FormulaC62H50Cr2O10
Molecular Weight1059.06 g/mol
Exact Mass1058.22
IUPAC Namebis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
SMILESC[O-].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.[Cr+3].[Cr+3]
InChIInChI=1S/4C15H12O2.2CH3O.2Cr/c4*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2;;/h4*1-11,16H;2*1H3;;/q;;;;2*-1;2*+3/p-4/b4*14-11-;;;;
InChIKeyZKIKWAWVWHFDSP-ZBMLSMHHSA-J
XLogP7.03
TPSA206.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.06
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The IUPAC name of bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) (CID 139068185) is bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate).
What is the SMILES notation for bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The canonical SMILES for bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) is C[O-].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.[Cr+3].[Cr+3].
What is the InChIKey of bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The InChIKey is ZKIKWAWVWHFDSP-ZBMLSMHHSA-J. The full InChI is InChI=1S/4C15H12O2.2CH3O.2Cr/c4*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2;;/h4*1-11,16H;2*1H3;;/q;;;;2*-1;2*+3/p-4/b4*14-11-;;;;.
What are the key properties of bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) has a molecular weight of 1059.06 g/mol, XLogP of 7.03, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromium(3+));methanolate;tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) is sourced from PubChem (CID 139068185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).