2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)

C46H48N4OPd — CID 153443279

About 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)

2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443279) has the molecular formula C46H48N4OPd and a molecular weight of 779.34 g/mol. Its IUPAC name is 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443279
• Molecular Formula: C46H48N4OPd
• Molecular Weight: 779.34 g/mol
• Exact Mass: 778.29
• IUPAC Name: 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCCCc1c(-c2c(C)cccc2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CC(C)C)ccn2)cc(C(C)C)c1.[Pd+2]
• InChI: InChI=1S/C46H48N4O.Pd/c1-9-10-17-42-46(45-31(6)14-13-15-32(45)7)33(8)48-50(42)36-25-35(30(4)5)26-38(27-36)51-37-19-20-40-39-16-11-12-18-41(39)49(43(40)28-37)44-24-34(21-22-47-44)23-29(2)3;/h11-16,18-22,24-26,29-30H,9-10,17,23H2,1-8H3;/q-2;+2
• InChIKey: KPRQOPPVVPYVET-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.34
LogP ≤ 5	12.01
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-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) (CID 153443279) is 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) is CCCCc1c(-c2c(C)cccc2C)c(C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CC(C)C)ccn2)cc(C(C)C)c1.[Pd+2].

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

The InChIKey is KPRQOPPVVPYVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N4O.Pd/c1-9-10-17-42-46(45-31(6)14-13-15-32(45)7)33(8)48-50(42)36-25-35(30(4)5)26-38(27-36)51-37-19-20-40-39-16-11-12-18-41(39)49(43(40)28-37)44-24-34(21-22-47-44)23-29(2)3;/h11-16,18-22,24-26,29-30H,9-10,17,23H2,1-8H3;/q-2;+2.

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

2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 779.34 g/mol, XLogP of 12.01, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).