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

C46H48N4OPd — CID 153443382

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

2-[3-tert-butyl-5-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443382) 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-diethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443382
• Molecular Formula: C46H48N4OPd
• Molecular Weight: 779.34 g/mol
• Exact Mass: 778.29
• IUPAC Name: 2-[3-tert-butyl-5-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCc1cccc(CC)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c1C.[Pd+2]
• InChI: InChI=1S/C46H48N4O.Pd/c1-11-31-16-15-17-32(12-2)44(31)43-29(3)48-50(30(43)4)35-24-34(46(8,9)10)25-37(27-35)51-36-20-21-39-38-18-13-14-19-40(38)49(41(39)28-36)42-26-33(22-23-47-42)45(5,6)7;/h13-26H,11-12H2,1-10H3;/q-2;+2
• InChIKey: PEVXQALYXQMJDO-UHFFFAOYSA-N
• XLogP: 11.76
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.34
LogP ≤ 5	11.76
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-diethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443382) is 2-[3-tert-butyl-5-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCc1cccc(CC)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c1C.[Pd+2].

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

The InChIKey is PEVXQALYXQMJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N4O.Pd/c1-11-31-16-15-17-32(12-2)44(31)43-29(3)48-50(30(43)4)35-24-34(46(8,9)10)25-37(27-35)51-36-20-21-39-38-18-13-14-19-40(38)49(41(39)28-36)42-26-33(22-23-47-42)45(5,6)7;/h13-26H,11-12H2,1-10H3;/q-2;+2.

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

2-[3-tert-butyl-5-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 779.34 g/mol, XLogP of 11.76, 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-[4-(2,6-diethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).