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

C48H52N4OPd — CID 153442636

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

9-(4-butyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153442636) has the molecular formula C48H52N4OPd and a molecular weight of 807.39 g/mol. Its IUPAC name is 9-(4-butyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 9-(4-butyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153442636
• Molecular Formula: C48H52N4OPd
• Molecular Weight: 807.39 g/mol
• Exact Mass: 806.32
• IUPAC Name: 9-(4-butyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cc(C)cc6C)c5CCC(C)C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C48H52N4O.Pd/c1-10-11-14-36-21-22-49-46(25-36)51-43-16-13-12-15-41(43)42-19-18-39(29-45(42)51)53-40-27-37(31(4)5)26-38(28-40)52-44(20-17-30(2)3)48(35(9)50-52)47-33(7)23-32(6)24-34(47)8;/h12-13,15-16,18-19,21-27,30-31H,10-11,14,17,20H2,1-9H3;/q-2;+2
• InChIKey: QWSDQQWNSPCTMS-UHFFFAOYSA-N
• XLogP: 12.71
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.39
LogP ≤ 5	12.71
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 9-(4-butyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 9-(4-butyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) (CID 153442636) is 9-(4-butyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 9-(4-butyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) is CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cc(C)cc6C)c5CCC(C)C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pd+2].

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

The InChIKey is QWSDQQWNSPCTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N4O.Pd/c1-10-11-14-36-21-22-49-46(25-36)51-43-16-13-12-15-41(43)42-19-18-39(29-45(42)51)53-40-27-37(31(4)5)26-38(28-40)52-44(20-17-30(2)3)48(35(9)50-52)47-33(7)23-32(6)24-34(47)8;/h12-13,15-16,18-19,21-27,30-31H,10-11,14,17,20H2,1-9H3;/q-2;+2.

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

9-(4-butyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 807.39 g/mol, XLogP of 12.71, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-butyl-2-pyridinyl)-2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153442636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).