carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)

C36H34O2Pd — CID 161273372

IUPACcarbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
SMILESO=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[CH3-].[CH3-].[Pd+2]
InChIInChI=1S/2C17H14O.2CH3.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;;/h2*1-14H;2*1H3;/q;;2*-1;+2/b2*13-11+,14-12+;;;
InChIKeyVECRDKDEMRHVSY-AXUQTGKGSA-N
MW605.09 g/mol
LogP8.86
Rot. Bonds8

About carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)

carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+) (PubChem CID 161273372) has the molecular formula C36H34O2Pd and a molecular weight of 605.09 g/mol. Its IUPAC name is carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+).

Molecular Properties

Compound Namecarbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
PubChem CID161273372
Molecular FormulaC36H34O2Pd
Molecular Weight605.09 g/mol
Exact Mass604.16
IUPAC Namecarbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
SMILESO=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[CH3-].[CH3-].[Pd+2]
InChIInChI=1S/2C17H14O.2CH3.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;;/h2*1-14H;2*1H3;/q;;2*-1;+2/b2*13-11+,14-12+;;;
InChIKeyVECRDKDEMRHVSY-AXUQTGKGSA-N
XLogP8.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.09
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
CID 12748773
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149
cesium;carbonic acid;tris(1,5-diphenylpenta-1,4-dien-3-one);hydride;bis(palladium)
CID 174910906
chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
CID 102565376
chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium
CID 24983555
(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane
CID 87515115

Frequently Asked Questions

What is the IUPAC name of carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)?
The IUPAC name of carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+) (CID 161273372) is carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+).
What is the SMILES notation for carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)?
The canonical SMILES for carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+) is O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[CH3-].[CH3-].[Pd+2].
What is the InChIKey of carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)?
The InChIKey is VECRDKDEMRHVSY-AXUQTGKGSA-N. The full InChI is InChI=1S/2C17H14O.2CH3.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;;/h2*1-14H;2*1H3;/q;;2*-1;+2/b2*13-11+,14-12+;;;.
What are the key properties of carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)?
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+) has a molecular weight of 605.09 g/mol, XLogP of 8.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+) is sourced from PubChem (CID 161273372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).