2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

C47H50N4OPd — CID 153443609

About 2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443609) has the molecular formula C47H50N4OPd and a molecular weight of 793.36 g/mol. Its IUPAC name is 2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443609
• Molecular Formula: C47H50N4OPd
• Molecular Weight: 793.36 g/mol
• Exact Mass: 792.30
• IUPAC Name: 2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)cc(C(C)C)c2)c(CCCC)c1-c1c(C)cc(C)cc1C.[Pd+2]
• InChI: InChI=1S/C47H50N4O.Pd/c1-9-11-16-41-47(46-33(7)23-32(6)24-34(46)8)43(17-12-10-2)51(49-41)36-26-35(30(3)4)27-38(28-36)52-37-19-20-40-39-15-13-14-18-42(39)50(44(40)29-37)45-25-31(5)21-22-48-45;/h13-15,18-27,30H,9-12,16-17H2,1-8H3;/q-2;+2
• InChIKey: KFDYCSYBJFRWBM-UHFFFAOYSA-N
• XLogP: 12.46
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.36
LogP ≤ 5	12.46
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-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443609) is 2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)cc(C(C)C)c2)c(CCCC)c1-c1c(C)cc(C)cc1C.[Pd+2].

What is the InChIKey of 2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The InChIKey is KFDYCSYBJFRWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50N4O.Pd/c1-9-11-16-41-47(46-33(7)23-32(6)24-34(46)8)43(17-12-10-2)51(49-41)36-26-35(30(3)4)27-38(28-36)52-37-19-20-40-39-15-13-14-18-42(39)50(44(40)29-37)45-25-31(5)21-22-48-45;/h13-15,18-27,30H,9-12,16-17H2,1-8H3;/q-2;+2.

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

2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 793.36 g/mol, XLogP of 12.46, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-dibutyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).