tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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

C77H54Cl3N11O3Pd3 — CID 157064298

IUPACtris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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+].Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]c(Oc2ccccn2)ccc1.[c-]1c(Oc2ccccn2)cccc1-n1cc(-c2ccc(-c3ccccc3)cc2)nn1.[c-]1c(Oc2ccccn2)cccc1-n1ncc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H20N3O.2C25H17N4O.3ClH.3Pd/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)24-18-29(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;2*1-16,18H;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyNWGPWQCWYVGMGK-UHFFFAOYSA-K
MW1606.97 g/mol
LogP19.65
Rot. Bonds15

About tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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

tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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 157064298) has the molecular formula C77H54Cl3N11O3Pd3 and a molecular weight of 1606.97 g/mol. Its IUPAC name is tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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 Nametris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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 CID157064298
Molecular FormulaC77H54Cl3N11O3Pd3
Molecular Weight1606.97 g/mol
Exact Mass1603.06
IUPAC Nametris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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+].Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]c(Oc2ccccn2)ccc1.[c-]1c(Oc2ccccn2)cccc1-n1cc(-c2ccc(-c3ccccc3)cc2)nn1.[c-]1c(Oc2ccccn2)cccc1-n1ncc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H20N3O.2C25H17N4O.3ClH.3Pd/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)24-18-29(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;2*1-16,18H;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyNWGPWQCWYVGMGK-UHFFFAOYSA-K
XLogP19.65
TPSA145.60 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms97
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001606.97
LogP ≤ 519.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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 tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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 157064298) is tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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 tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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 tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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+].Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]c(Oc2ccccn2)ccc1.[c-]1c(Oc2ccccn2)cccc1-n1cc(-c2ccc(-c3ccccc3)cc2)nn1.[c-]1c(Oc2ccccn2)cccc1-n1ncc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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 NWGPWQCWYVGMGK-UHFFFAOYSA-K. The full InChI is InChI=1S/C27H20N3O.2C25H17N4O.3ClH.3Pd/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)24-18-29(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;2*1-16,18H;3*1H;;;/q3*-1;;;;3*+2/p-3.
What are the key properties of tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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?
tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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 1606.97 g/mol, XLogP of 19.65, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tris(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;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 157064298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).