2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

C39H34N4O2Pd — CID 153443145

About 2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443145) has the molecular formula C39H34N4O2Pd and a molecular weight of 697.15 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443145
• Molecular Formula: C39H34N4O2Pd
• Molecular Weight: 697.15 g/mol
• Exact Mass: 696.17
• IUPAC Name: 2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCc1c(-c2c(C)cccc2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(OC)ccn2)cc(C)c1.[Pd+2]
• InChI: InChI=1S/C39H34N4O2.Pd/c1-7-34-39(38-25(3)11-10-12-26(38)4)27(5)41-43(34)28-19-24(2)20-31(21-28)45-30-15-16-33-32-13-8-9-14-35(32)42(36(33)22-30)37-23-29(44-6)17-18-40-37;/h8-20,23H,7H2,1-6H3;/q-2;+2
• InChIKey: WOBYMYKAFKKBKC-UHFFFAOYSA-N
• XLogP: 9.23
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.15
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443145) is 2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

What is the SMILES notation for 2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The canonical SMILES for 2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCc1c(-c2c(C)cccc2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(OC)ccn2)cc(C)c1.[Pd+2].

What is the InChIKey of 2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The InChIKey is WOBYMYKAFKKBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4O2.Pd/c1-7-34-39(38-25(3)11-10-12-26(38)4)27(5)41-43(34)28-19-24(2)20-31(21-28)45-30-15-16-33-32-13-8-9-14-35(32)42(36(33)22-30)37-23-29(44-6)17-18-40-37;/h8-20,23H,7H2,1-6H3;/q-2;+2.

What are the key properties of 2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 697.15 g/mol, XLogP of 9.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-dimethylphenyl)-5-ethyl-3-methylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).