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

C47H34N4O2Pd — CID 153442634

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

2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153442634) has the molecular formula C47H34N4O2Pd and a molecular weight of 793.24 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153442634
• Molecular Formula: C47H34N4O2Pd
• Molecular Weight: 793.24 g/mol
• Exact Mass: 792.17
• IUPAC Name: 2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(-c7ccccc7)cccc6-c6ccccc6)c5C)ccc4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C47H34N4O2.Pd/c1-31-46(47-39(33-14-6-4-7-15-33)21-13-22-40(47)34-16-8-5-9-17-34)32(2)51(49-31)35-18-12-19-37(28-35)53-38-24-25-42-41-20-10-11-23-43(41)50(44(42)29-38)45-30-36(52-3)26-27-48-45;/h4-27,30H,1-3H3;/q-2;+2
• InChIKey: ZYGSRHOBFDWKHL-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.24
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153442634) is 2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(-c7ccccc7)cccc6-c6ccccc6)c5C)ccc4)ccc3c3ccccc32)c1.[Pd+2].

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

The InChIKey is ZYGSRHOBFDWKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4O2.Pd/c1-31-46(47-39(33-14-6-4-7-15-33)21-13-22-40(47)34-16-8-5-9-17-34)32(2)51(49-31)35-18-12-19-37(28-35)53-38-24-25-42-41-20-10-11-23-43(41)50(44(42)29-38)45-30-36(52-3)26-27-48-45;/h4-27,30H,1-3H3;/q-2;+2.

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

2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 793.24 g/mol, XLogP of 11.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-diphenylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153442634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).