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

C48H52N4OPd — CID 153443496

About 2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-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-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443496) has the molecular formula C48H52N4OPd and a molecular weight of 807.39 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-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-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443496
• Molecular Formula: C48H52N4OPd
• Molecular Weight: 807.39 g/mol
• Exact Mass: 806.32
• IUPAC Name: 2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+)
• SMILES: Cc1cc(C)c(-c2c(C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(CC(C)C)ccn4)cc(C(C)(C)C)c3)c2C(C)(C)C)c(C)c1.[Pd+2]
• InChI: InChI=1S/C48H52N4O.Pd/c1-29(2)21-34-19-20-49-43(24-34)51-41-16-14-13-15-39(41)40-18-17-37(28-42(40)51)53-38-26-35(47(7,8)9)25-36(27-38)52-46(48(10,11)12)45(33(6)50-52)44-31(4)22-30(3)23-32(44)5;/h13-20,22-26,29H,21H2,1-12H3;/q-2;+2
• InChIKey: YYLZJNJQXGIKGX-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.39
LogP ≤ 5	12.45
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-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-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-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) (CID 153443496) is 2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-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-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-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-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;palladium(2+) is Cc1cc(C)c(-c2c(C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(CC(C)C)ccn4)cc(C(C)(C)C)c3)c2C(C)(C)C)c(C)c1.[Pd+2].

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

The InChIKey is YYLZJNJQXGIKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N4O.Pd/c1-29(2)21-34-19-20-49-43(24-34)51-41-16-14-13-15-39(41)40-18-17-37(28-42(40)51)53-38-26-35(47(7,8)9)25-36(27-38)52-46(48(10,11)12)45(33(6)50-52)44-31(4)22-30(3)23-32(44)5;/h13-20,22-26,29H,21H2,1-12H3;/q-2;+2.

What are the key properties of 2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-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-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-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 807.39 g/mol, XLogP of 12.45, 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-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-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 153443496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).