tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum

C51H42O3Pt2 — CID 10931176

IUPACtris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum
SMILESO=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pt].[Pt]
InChIInChI=1S/3C17H14O.2Pt/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;/b3*13-11+,14-12+;;
InChIKeyTZSNBHPFGNSWPO-WVCUSYJESA-N
MW1093.05 g/mol
LogP11.94
Rot. Bonds12

About tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum

tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum (PubChem CID 10931176) has the molecular formula C51H42O3Pt2 and a molecular weight of 1093.05 g/mol. Its IUPAC name is tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum.

Molecular Properties

Compound Nametris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum
PubChem CID10931176
Molecular FormulaC51H42O3Pt2
Molecular Weight1093.05 g/mol
Exact Mass1092.24
IUPAC Nametris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum
SMILESO=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pt].[Pt]
InChIInChI=1S/3C17H14O.2Pt/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;/b3*13-11+,14-12+;;
InChIKeyTZSNBHPFGNSWPO-WVCUSYJESA-N
XLogP11.94
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.05
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Bis(dibenzylideneacetone)palladium
CID 9811564
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium
CID 6505921
Palladium, tris[mu-[(1,2-eta:4,5-eta)-(1E,4E)-1,5-diphenyl-1,4-pentadien-3-one]]di-, compd. with trichloromethane (1:1)
CID 11029508
Tris(dibenzylideneacetone) dipalladium
CID 9832798
Tris(dibenzylideneacetone)platinum(0)
CID 54768455
2,4,8,10-Tetrabenzyl-benzo[1,2
CID 385325
1,10-Diphenyl-1,3,7,9-decatetraene-5,6-dione
CID 6152775
1,5-Diphenylpenta-1,4-dien-3-one
CID 157881154
1,5-Diphenylpenta-1,4-dien-3-one;palladium
CID 154270
2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetraphenyl-
CID 601501
3,3',5,5'-Tetraphenyl-4,4'-biphenylquinone
CID 12740076
1,1'-Terephthalylidenebis(4-phenyl-3-buten-2-one)
CID 6021352

Frequently Asked Questions

What is the IUPAC name of tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum?
The IUPAC name of tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum (CID 10931176) is tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum.
What is the SMILES notation for tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum?
The canonical SMILES for tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum is O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pt].[Pt].
What is the InChIKey of tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum?
The InChIKey is TZSNBHPFGNSWPO-WVCUSYJESA-N. The full InChI is InChI=1S/3C17H14O.2Pt/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;/b3*13-11+,14-12+;;.
What are the key properties of tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum?
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum has a molecular weight of 1093.05 g/mol, XLogP of 11.94, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);platinum is sourced from PubChem (CID 10931176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).