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

C51H42O3Pt — CID 54768455

IUPACtris(1,5-diphenylpenta-1,4-dien-3-one);platinum
SMILESO=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pt]
InChIInChI=1S/3C17H14O.Pt/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h3*1-14H;
InChIKeyFEKYVXQHHOSKBW-UHFFFAOYSA-N
MW897.97 g/mol
LogP11.94
Rot. Bonds12

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

tris(1,5-diphenylpenta-1,4-dien-3-one);platinum (PubChem CID 54768455) has the molecular formula C51H42O3Pt and a molecular weight of 897.97 g/mol. Its IUPAC name is tris(1,5-diphenylpenta-1,4-dien-3-one);platinum.

Molecular Properties

Compound Nametris(1,5-diphenylpenta-1,4-dien-3-one);platinum
PubChem CID54768455
Molecular FormulaC51H42O3Pt
Molecular Weight897.97 g/mol
Exact Mass897.28
IUPAC Nametris(1,5-diphenylpenta-1,4-dien-3-one);platinum
SMILESO=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pt]
InChIInChI=1S/3C17H14O.Pt/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h3*1-14H;
InChIKeyFEKYVXQHHOSKBW-UHFFFAOYSA-N
XLogP11.94
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.97
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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Frequently Asked Questions

What is the IUPAC name of tris(1,5-diphenylpenta-1,4-dien-3-one);platinum?
The IUPAC name of tris(1,5-diphenylpenta-1,4-dien-3-one);platinum (CID 54768455) is tris(1,5-diphenylpenta-1,4-dien-3-one);platinum.
What is the SMILES notation for tris(1,5-diphenylpenta-1,4-dien-3-one);platinum?
The canonical SMILES for tris(1,5-diphenylpenta-1,4-dien-3-one);platinum is O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pt].
What is the InChIKey of tris(1,5-diphenylpenta-1,4-dien-3-one);platinum?
The InChIKey is FEKYVXQHHOSKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H14O.Pt/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h3*1-14H;.
What are the key properties of tris(1,5-diphenylpenta-1,4-dien-3-one);platinum?
tris(1,5-diphenylpenta-1,4-dien-3-one);platinum has a molecular weight of 897.97 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(1,5-diphenylpenta-1,4-dien-3-one);platinum is sourced from PubChem (CID 54768455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).