tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine

C103H71Cl4N13O5Pd4 — CID 159577001

IUPACtetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine
SMILESCl[Pd+].Cl[Pd+].Cl[Pd+].Cl[Pd+].Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]c(Oc2ccccn2)ccc1.[c-]1c(Oc2ccccn2)cccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)o1.[c-]1c(Oc2ccccn2)cccc1-n1cc(-c2ccc(-c3ccccc3)cc2)nn1.[c-]1c(Oc2ccccn2)cccc1-n1ncc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H20N3O.C26H17N2O2.2C25H17N4O.4ClH.4Pd/c1-30-25(22-15-13-21(14-16-22)20-8-3-2-4-9-20)19-29-27(30)23-10-7-11-24(18-23)31-26-12-5-6-17-28-26;1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-28-26(30-24)22-9-6-10-23(17-22)29-25-11-4-5-16-27-25;1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-29(28-27-24)22-9-6-10-23(17-22)30-25-11-4-5-16-26-25;1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-27-29(28-24)22-9-6-10-23(17-22)30-25-11-4-5-16-26-25;;;;;;;;/h2-17,19H,1H3;3*1-16,18H;4*1H;;;;/q4*-1;;;;;4*+2/p-4
InChIKeyKEPDDLGPZYKTHS-UHFFFAOYSA-J
MW2138.28 g/mol
LogP27.00
Rot. Bonds20

About tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine

tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine (PubChem CID 159577001) has the molecular formula C103H71Cl4N13O5Pd4 and a molecular weight of 2138.28 g/mol. Its IUPAC name is tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine.

Molecular Properties

Compound Nametetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine
PubChem CID159577001
Molecular FormulaC103H71Cl4N13O5Pd4
Molecular Weight2138.28 g/mol
Exact Mass2133.06
IUPAC Nametetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine
SMILESCl[Pd+].Cl[Pd+].Cl[Pd+].Cl[Pd+].Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]c(Oc2ccccn2)ccc1.[c-]1c(Oc2ccccn2)cccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)o1.[c-]1c(Oc2ccccn2)cccc1-n1cc(-c2ccc(-c3ccccc3)cc2)nn1.[c-]1c(Oc2ccccn2)cccc1-n1ncc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H20N3O.C26H17N2O2.2C25H17N4O.4ClH.4Pd/c1-30-25(22-15-13-21(14-16-22)20-8-3-2-4-9-20)19-29-27(30)23-10-7-11-24(18-23)31-26-12-5-6-17-28-26;1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-28-26(30-24)22-9-6-10-23(17-22)29-25-11-4-5-16-27-25;1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-29(28-27-24)22-9-6-10-23(17-22)30-25-11-4-5-16-26-25;1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-27-29(28-24)22-9-6-10-23(17-22)30-25-11-4-5-16-26-25;;;;;;;;/h2-17,19H,1H3;3*1-16,18H;4*1H;;;;/q4*-1;;;;;4*+2/p-4
InChIKeyKEPDDLGPZYKTHS-UHFFFAOYSA-J
XLogP27.00
TPSA193.75 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms129
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002138.28
LogP ≤ 527.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine?
The IUPAC name of tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine (CID 159577001) is tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine.
What is the SMILES notation for tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine?
The canonical SMILES for tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine is Cl[Pd+].Cl[Pd+].Cl[Pd+].Cl[Pd+].Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]c(Oc2ccccn2)ccc1.[c-]1c(Oc2ccccn2)cccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)o1.[c-]1c(Oc2ccccn2)cccc1-n1cc(-c2ccc(-c3ccccc3)cc2)nn1.[c-]1c(Oc2ccccn2)cccc1-n1ncc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine?
The InChIKey is KEPDDLGPZYKTHS-UHFFFAOYSA-J. The full InChI is InChI=1S/C27H20N3O.C26H17N2O2.2C25H17N4O.4ClH.4Pd/c1-30-25(22-15-13-21(14-16-22)20-8-3-2-4-9-20)19-29-27(30)23-10-7-11-24(18-23)31-26-12-5-6-17-28-26;1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-28-26(30-24)22-9-6-10-23(17-22)29-25-11-4-5-16-27-25;1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-29(28-27-24)22-9-6-10-23(17-22)30-25-11-4-5-16-26-25;1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-27-29(28-24)22-9-6-10-23(17-22)30-25-11-4-5-16-26-25;;;;;;;;/h2-17,19H,1H3;3*1-16,18H;4*1H;;;;/q4*-1;;;;;4*+2/p-4.
What are the key properties of tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine?
tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine has a molecular weight of 2138.28 g/mol, XLogP of 27.00, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine is sourced from PubChem (CID 159577001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).