2-[3-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

C40H36N4OPd — CID 153448082

About 2-[3-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

2-[3-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153448082) has the molecular formula C40H36N4OPd and a molecular weight of 695.18 g/mol. Its IUPAC name is 2-[3-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-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-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153448082
• Molecular Formula: C40H36N4OPd
• Molecular Weight: 695.18 g/mol
• Exact Mass: 694.19
• IUPAC Name: 2-[3-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-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(C(C)C)c(-c6ccccc6)c5CC(C)C)ccc4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C40H36N4O.Pd/c1-26(2)22-37-39(29-12-7-6-8-13-29)40(27(3)4)42-44(37)30-14-11-15-31(24-30)45-32-18-19-34-33-16-9-10-17-35(33)43(36(34)25-32)38-23-28(5)20-21-41-38;/h6-21,23,26-27H,22H2,1-5H3;/q-2;+2
• InChIKey: DLYGJEFOYMDMGG-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.18
LogP ≤ 5	10.05
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-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-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-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153448082) is 2-[3-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-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-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-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-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-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(C(C)C)c(-c6ccccc6)c5CC(C)C)ccc4)ccc3c3ccccc32)c1.[Pd+2].

What is the InChIKey of 2-[3-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The InChIKey is DLYGJEFOYMDMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4O.Pd/c1-26(2)22-37-39(29-12-7-6-8-13-29)40(27(3)4)42-44(37)30-14-11-15-31(24-30)45-32-18-19-34-33-16-9-10-17-35(33)43(36(34)25-32)38-23-28(5)20-21-41-38;/h6-21,23,26-27H,22H2,1-5H3;/q-2;+2.

What are the key properties of 2-[3-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

2-[3-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 695.18 g/mol, XLogP of 10.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-(2-methylpropyl)-4-phenyl-3-propan-2-ylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153448082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).