4-iodo-1-tritylimidazole;palladium

C22H17IN2Pd — CID 174711966

IUPAC4-iodo-1-tritylimidazole;palladium
SMILESIc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.[Pd]
InChIInChI=1S/C22H17IN2.Pd/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-17H;
InChIKeyWYAIWOLXCFFBNW-UHFFFAOYSA-N
MW542.72 g/mol
LogP5.33
Rot. Bonds4

About 4-iodo-1-tritylimidazole;palladium

4-iodo-1-tritylimidazole;palladium (PubChem CID 174711966) has the molecular formula C22H17IN2Pd and a molecular weight of 542.72 g/mol. Its IUPAC name is 4-iodo-1-tritylimidazole;palladium.

Molecular Properties

Compound Name4-iodo-1-tritylimidazole;palladium
PubChem CID174711966
Molecular FormulaC22H17IN2Pd
Molecular Weight542.72 g/mol
Exact Mass541.95
IUPAC Name4-iodo-1-tritylimidazole;palladium
SMILESIc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.[Pd]
InChIInChI=1S/C22H17IN2.Pd/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-17H;
InChIKeyWYAIWOLXCFFBNW-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.72
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-tritylimidazole;palladium?
The IUPAC name of 4-iodo-1-tritylimidazole;palladium (CID 174711966) is 4-iodo-1-tritylimidazole;palladium.
What is the SMILES notation for 4-iodo-1-tritylimidazole;palladium?
The canonical SMILES for 4-iodo-1-tritylimidazole;palladium is Ic1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.[Pd].
What is the InChIKey of 4-iodo-1-tritylimidazole;palladium?
The InChIKey is WYAIWOLXCFFBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17IN2.Pd/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-17H;.
What are the key properties of 4-iodo-1-tritylimidazole;palladium?
4-iodo-1-tritylimidazole;palladium has a molecular weight of 542.72 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-tritylimidazole;palladium is sourced from PubChem (CID 174711966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).