cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

C30H22CoO4 — CID 5483694

IUPACcobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
SMILESO=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Co+2]
InChIInChI=1S/2C15H12O2.Co/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h2*1-11,16H;/q;;+2/p-2/b2*14-11-;
InChIKeyPHINRDPRLRZORI-AGIYBIRKSA-L
MW505.44 g/mol
LogP4.54
Rot. Bonds6

About cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) (PubChem CID 5483694) has the molecular formula C30H22CoO4 and a molecular weight of 505.44 g/mol. Its IUPAC name is cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate).

Molecular Properties

Compound Namecobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
PubChem CID5483694
Molecular FormulaC30H22CoO4
Molecular Weight505.44 g/mol
Exact Mass505.09
IUPAC Namecobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
SMILESO=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Co+2]
InChIInChI=1S/2C15H12O2.Co/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h2*1-11,16H;/q;;+2/p-2/b2*14-11-;
InChIKeyPHINRDPRLRZORI-AGIYBIRKSA-L
XLogP4.54
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The IUPAC name of cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) (CID 5483694) is cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate).
What is the SMILES notation for cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The canonical SMILES for cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) is O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Co+2].
What is the InChIKey of cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The InChIKey is PHINRDPRLRZORI-AGIYBIRKSA-L. The full InChI is InChI=1S/2C15H12O2.Co/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h2*1-11,16H;/q;;+2/p-2/b2*14-11-;.
What are the key properties of cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) has a molecular weight of 505.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) is sourced from PubChem (CID 5483694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).