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

C47H50N4OPd — CID 153442881

About 2-[3-tert-butyl-5-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-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-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153442881) has the molecular formula C47H50N4OPd and a molecular weight of 793.36 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-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-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153442881
• Molecular Formula: C47H50N4OPd
• Molecular Weight: 793.36 g/mol
• Exact Mass: 792.30
• IUPAC Name: 2-[3-tert-butyl-5-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-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)C.[Pd+2]
• InChI: InChI=1S/C47H50N4O.Pd/c1-29(2)23-33-21-22-48-42(24-33)50-40-18-13-12-17-38(40)39-20-19-36(28-41(39)50)52-37-26-34(46(6,7)8)25-35(27-37)51-45(47(9,10)11)44(32(5)49-51)43-30(3)15-14-16-31(43)4;/h12-22,24-26,29H,23H2,1-11H3;/q-2;+2
• InChIKey: CDHUIRLXSUYVSI-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.36
LogP ≤ 5	12.14
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-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-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-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) (CID 153442881) is 2-[3-tert-butyl-5-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-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-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-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-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-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)C.[Pd+2].

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

The InChIKey is CDHUIRLXSUYVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50N4O.Pd/c1-29(2)23-33-21-22-48-42(24-33)50-40-18-13-12-17-38(40)39-20-19-36(28-41(39)50)52-37-26-34(46(6,7)8)25-35(27-37)51-45(47(9,10)11)44(32(5)49-51)43-30(3)15-14-16-31(43)4;/h12-22,24-26,29H,23H2,1-11H3;/q-2;+2.

What are the key properties of 2-[3-tert-butyl-5-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-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-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-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 793.36 g/mol, XLogP of 12.14, 7 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-[5-tert-butyl-4-(2,6-dimethylphenyl)-3-methylpyrazol-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 153442881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).