tetrakis(diphenylmethylbenzene);palladium

C76H60Pd-4 — CID 57423444

IUPACtetrakis(diphenylmethylbenzene);palladium
SMILES[Pd].c1ccc([C-](c2ccccc2)c2ccccc2)cc1.c1ccc([C-](c2ccccc2)c2ccccc2)cc1.c1ccc([C-](c2ccccc2)c2ccccc2)cc1.c1ccc([C-](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C19H15.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;/q4*-1;
InChIKeyYMNQLTRTCGDRBN-UHFFFAOYSA-N
MW1079.74 g/mol
LogP18.82
Rot. Bonds12

About tetrakis(diphenylmethylbenzene);palladium

tetrakis(diphenylmethylbenzene);palladium (PubChem CID 57423444) has the molecular formula C76H60Pd-4 and a molecular weight of 1079.74 g/mol. Its IUPAC name is tetrakis(diphenylmethylbenzene);palladium.

Molecular Properties

Compound Nametetrakis(diphenylmethylbenzene);palladium
PubChem CID57423444
Molecular FormulaC76H60Pd-4
Molecular Weight1079.74 g/mol
Exact Mass1078.38
IUPAC Nametetrakis(diphenylmethylbenzene);palladium
SMILES[Pd].c1ccc([C-](c2ccccc2)c2ccccc2)cc1.c1ccc([C-](c2ccccc2)c2ccccc2)cc1.c1ccc([C-](c2ccccc2)c2ccccc2)cc1.c1ccc([C-](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C19H15.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;/q4*-1;
InChIKeyYMNQLTRTCGDRBN-UHFFFAOYSA-N
XLogP18.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.74
LogP ≤ 518.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tetrakis(diphenylmethylbenzene);palladium?
The IUPAC name of tetrakis(diphenylmethylbenzene);palladium (CID 57423444) is tetrakis(diphenylmethylbenzene);palladium.
What is the SMILES notation for tetrakis(diphenylmethylbenzene);palladium?
The canonical SMILES for tetrakis(diphenylmethylbenzene);palladium is [Pd].c1ccc([C-](c2ccccc2)c2ccccc2)cc1.c1ccc([C-](c2ccccc2)c2ccccc2)cc1.c1ccc([C-](c2ccccc2)c2ccccc2)cc1.c1ccc([C-](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetrakis(diphenylmethylbenzene);palladium?
The InChIKey is YMNQLTRTCGDRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C19H15.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;/q4*-1;.
What are the key properties of tetrakis(diphenylmethylbenzene);palladium?
tetrakis(diphenylmethylbenzene);palladium has a molecular weight of 1079.74 g/mol, XLogP of 18.82, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(diphenylmethylbenzene);palladium is sourced from PubChem (CID 57423444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).