2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

C41H38N4OPd — CID 153448051

About 2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153448051) has the molecular formula C41H38N4OPd and a molecular weight of 709.20 g/mol. Its IUPAC name is 2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153448051
• Molecular Formula: C41H38N4OPd
• Molecular Weight: 709.20 g/mol
• Exact Mass: 708.21
• IUPAC Name: 2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)cc(C)c2)c(C(C)(C)C)c1-c1ccccc1.[Pd+2]
• InChI: InChI=1S/C41H38N4O.Pd/c1-7-13-35-39(29-14-9-8-10-15-29)40(41(4,5)6)45(43-35)30-22-28(3)23-32(25-30)46-31-18-19-34-33-16-11-12-17-36(33)44(37(34)26-31)38-24-27(2)20-21-42-38;/h8-12,14-24H,7,13H2,1-6H3;/q-2;+2
• InChIKey: IGRHOHUIKSCOMT-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.20
LogP ≤ 5	10.29
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-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153448051) is 2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

What is the SMILES notation for 2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The canonical SMILES for 2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)cc(C)c2)c(C(C)(C)C)c1-c1ccccc1.[Pd+2].

What is the InChIKey of 2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The InChIKey is IGRHOHUIKSCOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O.Pd/c1-7-13-35-39(29-14-9-8-10-15-29)40(41(4,5)6)45(43-35)30-22-28(3)23-32(25-30)46-31-18-19-34-33-16-11-12-17-36(33)44(37(34)26-31)38-24-27(2)20-21-42-38;/h8-12,14-24H,7,13H2,1-6H3;/q-2;+2.

What are the key properties of 2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 709.20 g/mol, XLogP of 10.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(5-tert-butyl-4-phenyl-3-propylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153448051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).