2-[3-[4-(2,6-diphenylphenyl)-3,5-bis(3-methylbutyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

C55H50N4OPd — CID 153442768

About 2-[3-[4-(2,6-diphenylphenyl)-3,5-bis(3-methylbutyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

2-[3-[4-(2,6-diphenylphenyl)-3,5-bis(3-methylbutyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153442768) has the molecular formula C55H50N4OPd and a molecular weight of 889.45 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diphenylphenyl)-3,5-bis(3-methylbutyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-diphenylphenyl)-3,5-bis(3-methylbutyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153442768
• Molecular Formula: C55H50N4OPd
• Molecular Weight: 889.45 g/mol
• Exact Mass: 888.30
• IUPAC Name: 2-[3-[4-(2,6-diphenylphenyl)-3,5-bis(3-methylbutyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(CCC(C)C)c(-c6c(-c7ccccc7)cccc6-c6ccccc6)c5CCC(C)C)ccc4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C55H50N4O.Pd/c1-37(2)26-30-49-55(54-45(40-16-8-6-9-17-40)23-15-24-46(54)41-18-10-7-11-19-41)51(31-27-38(3)4)59(57-49)42-20-14-21-43(35-42)60-44-28-29-48-47-22-12-13-25-50(47)58(52(48)36-44)53-34-39(5)32-33-56-53;/h6-25,28-29,32-34,37-38H,26-27,30-31H2,1-5H3;/q-2;+2
• InChIKey: UFEFSVIFWLZAMK-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.45
LogP ≤ 5	14.24
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-[4-(2,6-diphenylphenyl)-3,5-bis(3-methylbutyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[4-(2,6-diphenylphenyl)-3,5-bis(3-methylbutyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153442768) is 2-[3-[4-(2,6-diphenylphenyl)-3,5-bis(3-methylbutyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-[4-(2,6-diphenylphenyl)-3,5-bis(3-methylbutyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(CCC(C)C)c(-c6c(-c7ccccc7)cccc6-c6ccccc6)c5CCC(C)C)ccc4)ccc3c3ccccc32)c1.[Pd+2].

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

The InChIKey is UFEFSVIFWLZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H50N4O.Pd/c1-37(2)26-30-49-55(54-45(40-16-8-6-9-17-40)23-15-24-46(54)41-18-10-7-11-19-41)51(31-27-38(3)4)59(57-49)42-20-14-21-43(35-42)60-44-28-29-48-47-22-12-13-25-50(47)58(52(48)36-44)53-34-39(5)32-33-56-53;/h6-25,28-29,32-34,37-38H,26-27,30-31H2,1-5H3;/q-2;+2.

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

2-[3-[4-(2,6-diphenylphenyl)-3,5-bis(3-methylbutyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 889.45 g/mol, XLogP of 14.24, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-diphenylphenyl)-3,5-bis(3-methylbutyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153442768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).