chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol

C36H36ClN8OPd2- — CID 161033961

IUPACchloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol
SMILESCc1cc(Cn2[c-]ccc2)nc(Cn2cccn2)c1.Cc1cc(Cn2[c-]ccc2)nc(Cn2cccn2)c1.Cl[Pd+].Oc1ccccc1.[Pd]
InChIInChI=1S/2C15H15N4.C6H6O.ClH.2Pd/c2*1-13-9-14(11-18-6-2-3-7-18)17-15(10-13)12-19-8-4-5-16-19;7-6-4-2-1-3-5-6;;;/h2*2-6,8-10H,11-12H2,1H3;1-5,7H;1H;;/q2*-1;;;;+2/p-1
InChIKeyDRSCDQIVJJFGBI-UHFFFAOYSA-M
MW845.03 g/mol
LogP6.65
Rot. Bonds8

About chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol

chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol (PubChem CID 161033961) has the molecular formula C36H36ClN8OPd2- and a molecular weight of 845.03 g/mol. Its IUPAC name is chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol.

Molecular Properties

Compound Namechloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol
PubChem CID161033961
Molecular FormulaC36H36ClN8OPd2-
Molecular Weight845.03 g/mol
Exact Mass843.08
IUPAC Namechloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol
SMILESCc1cc(Cn2[c-]ccc2)nc(Cn2cccn2)c1.Cc1cc(Cn2[c-]ccc2)nc(Cn2cccn2)c1.Cl[Pd+].Oc1ccccc1.[Pd]
InChIInChI=1S/2C15H15N4.C6H6O.ClH.2Pd/c2*1-13-9-14(11-18-6-2-3-7-18)17-15(10-13)12-19-8-4-5-16-19;7-6-4-2-1-3-5-6;;;/h2*2-6,8-10H,11-12H2,1H3;1-5,7H;1H;;/q2*-1;;;;+2/p-1
InChIKeyDRSCDQIVJJFGBI-UHFFFAOYSA-M
XLogP6.65
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.03
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol
CID 59685721
fluoroplatinum(1+);4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine
CID 59685581
4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium
CID 59685583
4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
CID 59685582
2,6-bis(pyrazol-1-ylmethyl)pyridine
CID 12975814
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
2,6-bis[(5-methyl-2H-pyrrol-2-id-1-yl)methyl]pyridine;iridium(3+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole
CID 59685631
ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole
CID 176952887
1-benzyl-4-(pyrazol-1-ylmethyl)triazole
CID 102307082
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
bis(bromoplatinum(1+));chloroplatinum(1+);4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole;4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;naphthalen-1-ol;phenol;2-(phenylmethyl)-6-(pyrazol-1-ylmethyl)pyridine;platinum;platinum(2+);1-[[3-(pyrazol-1-ylmethyl)-2,9b-dihydrophenalen-2-id-1-yl]methyl]pyrazole;2-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyridine;2-(pyridin-2-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;1-[[3-(1,2,4-triazol-1-ylmethyl)-2H-naphthalen-2-id-1-yl]methyl]-1,2,4-triazole;triphenylphosphanium
CID 159701182
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562

Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol?
The IUPAC name of chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol (CID 161033961) is chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol.
What is the SMILES notation for chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol?
The canonical SMILES for chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol is Cc1cc(Cn2[c-]ccc2)nc(Cn2cccn2)c1.Cc1cc(Cn2[c-]ccc2)nc(Cn2cccn2)c1.Cl[Pd+].Oc1ccccc1.[Pd].
What is the InChIKey of chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol?
The InChIKey is DRSCDQIVJJFGBI-UHFFFAOYSA-M. The full InChI is InChI=1S/2C15H15N4.C6H6O.ClH.2Pd/c2*1-13-9-14(11-18-6-2-3-7-18)17-15(10-13)12-19-8-4-5-16-19;7-6-4-2-1-3-5-6;;;/h2*2-6,8-10H,11-12H2,1H3;1-5,7H;1H;;/q2*-1;;;;+2/p-1.
What are the key properties of chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol?
chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol has a molecular weight of 845.03 g/mol, XLogP of 6.65, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol is sourced from PubChem (CID 161033961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).