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

C39H34N4OPd — CID 153442898

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

2-[3-[3,5-dimethyl-4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153442898) has the molecular formula C39H34N4OPd and a molecular weight of 681.15 g/mol. Its IUPAC name is 2-[3-[3,5-dimethyl-4-(2-methyl-6-propylphenyl)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-[3,5-dimethyl-4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153442898
• Molecular Formula: C39H34N4OPd
• Molecular Weight: 681.15 g/mol
• Exact Mass: 680.18
• IUPAC Name: 2-[3-[3,5-dimethyl-4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCCc1cccc(C)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.[Pd+2]
• InChI: InChI=1S/C39H34N4O.Pd/c1-6-11-29-13-9-12-26(3)38(29)39-27(4)41-43(28(39)5)30-14-10-15-31(23-30)44-32-18-19-34-33-16-7-8-17-35(33)42(36(34)24-32)37-22-25(2)20-21-40-37;/h7-10,12-22H,6,11H2,1-5H3;/q-2;+2
• InChIKey: FDBYRYVJCWUQOT-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	681.15
LogP ≤ 5	9.61
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-dimethyl-4-(2-methyl-6-propylphenyl)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-[3,5-dimethyl-4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153442898) is 2-[3-[3,5-dimethyl-4-(2-methyl-6-propylphenyl)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-[3,5-dimethyl-4-(2-methyl-6-propylphenyl)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-[3,5-dimethyl-4-(2-methyl-6-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCCc1cccc(C)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.[Pd+2].

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

The InChIKey is FDBYRYVJCWUQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4O.Pd/c1-6-11-29-13-9-12-26(3)38(29)39-27(4)41-43(28(39)5)30-14-10-15-31(23-30)44-32-18-19-34-33-16-7-8-17-35(33)42(36(34)24-32)37-22-25(2)20-21-40-37;/h7-10,12-22H,6,11H2,1-5H3;/q-2;+2.

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

2-[3-[3,5-dimethyl-4-(2-methyl-6-propylphenyl)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 681.15 g/mol, XLogP of 9.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-dimethyl-4-(2-methyl-6-propylphenyl)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 153442898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).