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

C47H50N4OPd — CID 153442956

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

2-[3-[3,5-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153442956) has the molecular formula C47H50N4OPd and a molecular weight of 793.36 g/mol. Its IUPAC name is 2-[3-[3,5-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[3,5-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153442956
• Molecular Formula: C47H50N4OPd
• Molecular Weight: 793.36 g/mol
• Exact Mass: 792.30
• IUPAC Name: 2-[3-[3,5-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(CCC)c(-c6c(C)cc(C)cc6C)c5CCC)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C47H50N4O.Pd/c1-9-14-34-21-22-48-45(25-34)50-42-18-13-12-17-39(42)40-20-19-37(29-44(40)50)52-38-27-35(30(4)5)26-36(28-38)51-43(16-11-3)47(41(49-51)15-10-2)46-32(7)23-31(6)24-33(46)8;/h12-13,17-27,30H,9-11,14-16H2,1-8H3;/q-2;+2
• InChIKey: DEDQEPWWFMRHQI-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.36
LogP ≤ 5	12.33
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-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[3,5-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153442956) is 2-[3-[3,5-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-[3,5-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(CCC)c(-c6c(C)cc(C)cc6C)c5CCC)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pd+2].

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

The InChIKey is DEDQEPWWFMRHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50N4O.Pd/c1-9-14-34-21-22-48-45(25-34)50-42-18-13-12-17-39(42)40-20-19-37(29-44(40)50)52-38-27-35(30(4)5)26-36(28-38)51-43(16-11-3)47(41(49-51)15-10-2)46-32(7)23-31(6)24-33(46)8;/h12-13,17-27,30H,9-11,14-16H2,1-8H3;/q-2;+2.

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

2-[3-[3,5-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 793.36 g/mol, XLogP of 12.33, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153442956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).