diphenylmethylbenzene;palladium(2+);pentane-2,4-diol

C24H26O2Pd — CID 5231750

IUPACdiphenylmethylbenzene;palladium(2+);pentane-2,4-diol
SMILESCC(O)CC(C)O.[Pd+2].[c-]1ccccc1[C-](c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14.C5H12O2.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;/h1-14H;4-7H,3H2,1-2H3;/q-2;;+2
InChIKeyUPCONQKIVAHLOH-UHFFFAOYSA-N
MW452.89 g/mol
LogP4.64
Rot. Bonds5

About diphenylmethylbenzene;palladium(2+);pentane-2,4-diol

diphenylmethylbenzene;palladium(2+);pentane-2,4-diol (PubChem CID 5231750) has the molecular formula C24H26O2Pd and a molecular weight of 452.89 g/mol. Its IUPAC name is diphenylmethylbenzene;palladium(2+);pentane-2,4-diol.

Molecular Properties

Compound Namediphenylmethylbenzene;palladium(2+);pentane-2,4-diol
PubChem CID5231750
Molecular FormulaC24H26O2Pd
Molecular Weight452.89 g/mol
Exact Mass452.10
IUPAC Namediphenylmethylbenzene;palladium(2+);pentane-2,4-diol
SMILESCC(O)CC(C)O.[Pd+2].[c-]1ccccc1[C-](c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14.C5H12O2.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;/h1-14H;4-7H,3H2,1-2H3;/q-2;;+2
InChIKeyUPCONQKIVAHLOH-UHFFFAOYSA-N
XLogP4.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.89
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenylmethylbenzene;palladium(2+);pentane-2,4-diol?
The IUPAC name of diphenylmethylbenzene;palladium(2+);pentane-2,4-diol (CID 5231750) is diphenylmethylbenzene;palladium(2+);pentane-2,4-diol.
What is the SMILES notation for diphenylmethylbenzene;palladium(2+);pentane-2,4-diol?
The canonical SMILES for diphenylmethylbenzene;palladium(2+);pentane-2,4-diol is CC(O)CC(C)O.[Pd+2].[c-]1ccccc1[C-](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethylbenzene;palladium(2+);pentane-2,4-diol?
The InChIKey is UPCONQKIVAHLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14.C5H12O2.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;/h1-14H;4-7H,3H2,1-2H3;/q-2;;+2.
What are the key properties of diphenylmethylbenzene;palladium(2+);pentane-2,4-diol?
diphenylmethylbenzene;palladium(2+);pentane-2,4-diol has a molecular weight of 452.89 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethylbenzene;palladium(2+);pentane-2,4-diol is sourced from PubChem (CID 5231750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).