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

C40H36N4O2Pd — CID 153443349

About 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-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-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443349) has the molecular formula C40H36N4O2Pd and a molecular weight of 711.17 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-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-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443349
• Molecular Formula: C40H36N4O2Pd
• Molecular Weight: 711.17 g/mol
• Exact Mass: 710.19
• IUPAC Name: 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCc1cccc(CC)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(OC)ccn3)cc(C)c2)c1C.[Pd+2]
• InChI: InChI=1S/C40H36N4O2.Pd/c1-7-28-12-11-13-29(8-2)40(28)39-26(4)42-44(27(39)5)30-20-25(3)21-33(22-30)46-32-16-17-35-34-14-9-10-15-36(34)43(37(35)23-32)38-24-31(45-6)18-19-41-38;/h9-21,24H,7-8H2,1-6H3;/q-2;+2
• InChIKey: KZENSBLWXYKUEM-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.17
LogP ≤ 5	9.48
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-diethylphenyl)-3,5-dimethylpyrazol-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-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443349) is 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-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-diethylphenyl)-3,5-dimethylpyrazol-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-diethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCc1cccc(CC)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(OC)ccn3)cc(C)c2)c1C.[Pd+2].

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

The InChIKey is KZENSBLWXYKUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4O2.Pd/c1-7-28-12-11-13-29(8-2)40(28)39-26(4)42-44(27(39)5)30-20-25(3)21-33(22-30)46-32-16-17-35-34-14-9-10-15-36(34)43(37(35)23-32)38-24-31(45-6)18-19-41-38;/h9-21,24H,7-8H2,1-6H3;/q-2;+2.

What are the key properties of 2-[3-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-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-diethylphenyl)-3,5-dimethylpyrazol-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 711.17 g/mol, XLogP of 9.48, 8 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-diethylphenyl)-3,5-dimethylpyrazol-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 153443349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).