diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide)

C34H34I2N4Pd-2 — CID 135010612

IUPACdiiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide)
SMILESCC(c1ccccc1)N1C=CN(c2ccccc2)[CH-]1.CC(c1ccccc1)N1C=CN(c2ccccc2)[CH-]1.I[Pd]I
InChIInChI=1S/2C17H17N2.2HI.Pd/c2*1-15(16-8-4-2-5-9-16)18-12-13-19(14-18)17-10-6-3-7-11-17;;;/h2*2-15H,1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyVUOQTUCFGYZLDA-UHFFFAOYSA-L
MW858.90 g/mol
LogP10.09
Rot. Bonds6

About diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide)

diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide) (PubChem CID 135010612) has the molecular formula C34H34I2N4Pd-2 and a molecular weight of 858.90 g/mol. Its IUPAC name is diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide).

Molecular Properties

Compound Namediiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide)
PubChem CID135010612
Molecular FormulaC34H34I2N4Pd-2
Molecular Weight858.90 g/mol
Exact Mass857.99
IUPAC Namediiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide)
SMILESCC(c1ccccc1)N1C=CN(c2ccccc2)[CH-]1.CC(c1ccccc1)N1C=CN(c2ccccc2)[CH-]1.I[Pd]I
InChIInChI=1S/2C17H17N2.2HI.Pd/c2*1-15(16-8-4-2-5-9-16)18-12-13-19(14-18)17-10-6-3-7-11-17;;;/h2*2-15H,1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyVUOQTUCFGYZLDA-UHFFFAOYSA-L
XLogP10.09
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.90
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide)?
The IUPAC name of diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide) (CID 135010612) is diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide).
What is the SMILES notation for diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide)?
The canonical SMILES for diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide) is CC(c1ccccc1)N1C=CN(c2ccccc2)[CH-]1.CC(c1ccccc1)N1C=CN(c2ccccc2)[CH-]1.I[Pd]I.
What is the InChIKey of diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide)?
The InChIKey is VUOQTUCFGYZLDA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H17N2.2HI.Pd/c2*1-15(16-8-4-2-5-9-16)18-12-13-19(14-18)17-10-6-3-7-11-17;;;/h2*2-15H,1H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide)?
diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide) has a molecular weight of 858.90 g/mol, XLogP of 10.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diiodopalladium;bis(1-phenyl-3-(1-phenylethyl)-2H-imidazol-2-ide) is sourced from PubChem (CID 135010612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).