2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

C40H36N4OPd — CID 153443288

About 2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443288) has the molecular formula C40H36N4OPd and a molecular weight of 695.17 g/mol. Its IUPAC name is 2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443288
• Molecular Formula: C40H36N4OPd
• Molecular Weight: 695.17 g/mol
• Exact Mass: 694.19
• IUPAC Name: 2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCc1c(C)c(C)cc(C)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.[Pd+2]
• InChI: InChI=1S/C40H36N4O.Pd/c1-8-33-27(5)25(3)21-26(4)39(33)40-28(6)42-44(29(40)7)30-12-11-13-31(22-30)45-32-16-17-35-34-14-9-10-15-36(34)43(37(35)23-32)38-20-24(2)18-19-41-38;/h9-21H,8H2,1-7H3;/q-2;+2
• InChIKey: KUNNYEHLDSJCJT-UHFFFAOYSA-N
• XLogP: 9.83
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.17
LogP ≤ 5	9.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443288) is 2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

What is the SMILES notation for 2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The canonical SMILES for 2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCc1c(C)c(C)cc(C)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.[Pd+2].

What is the InChIKey of 2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The InChIKey is KUNNYEHLDSJCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4O.Pd/c1-8-33-27(5)25(3)21-26(4)39(33)40-28(6)42-44(29(40)7)30-12-11-13-31(22-30)45-32-16-17-35-34-14-9-10-15-36(34)43(37(35)23-32)38-20-24(2)18-19-41-38;/h9-21H,8H2,1-7H3;/q-2;+2.

What are the key properties of 2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 695.17 g/mol, XLogP of 9.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2-ethyl-3,4,6-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).