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

C46H48N4OPd — CID 153442597

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

2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3-methyl-5-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153442597) has the molecular formula C46H48N4OPd and a molecular weight of 779.34 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3-methyl-5-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3-methyl-5-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153442597
• Molecular Formula: C46H48N4OPd
• Molecular Weight: 779.34 g/mol
• Exact Mass: 778.29
• IUPAC Name: 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3-methyl-5-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)
• SMILES: Cc1cccc(C)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(CC(C)C)ccn3)cc(C(C)(C)C)c2)c1C(C)C.[Pd+2]
• InChI: InChI=1S/C46H48N4O.Pd/c1-28(2)22-33-20-21-47-42(23-33)49-40-17-12-11-16-38(40)39-19-18-36(27-41(39)49)51-37-25-34(46(8,9)10)24-35(26-37)50-45(29(3)4)44(32(7)48-50)43-30(5)14-13-15-31(43)6;/h11-21,23-25,28-29H,22H2,1-10H3;/q-2;+2
• InChIKey: CZMAAJOVWBWEGL-UHFFFAOYSA-N
• XLogP: 11.97
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.34
LogP ≤ 5	11.97
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-tert-butyl-5-[4-(2,6-dimethylphenyl)-3-methyl-5-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3-methyl-5-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) (CID 153442597) is 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3-methyl-5-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3-methyl-5-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) is Cc1cccc(C)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(CC(C)C)ccn3)cc(C(C)(C)C)c2)c1C(C)C.[Pd+2].

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

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

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

2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3-methyl-5-propan-2-ylpyrazol-1-yl]benzene-6-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 11.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3-methyl-5-propan-2-ylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153442597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).