2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

C47H50N4OPd — CID 153443098

About 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443098) has the molecular formula C47H50N4OPd and a molecular weight of 793.36 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443098
• Molecular Formula: C47H50N4OPd
• Molecular Weight: 793.36 g/mol
• Exact Mass: 792.30
• IUPAC Name: 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)cc(C(C)(C)C)c2)c(CCC)c1-c1c(C)cccc1C.[Pd+2]
• InChI: InChI=1S/C47H50N4O.Pd/c1-10-15-40-46(45-31(5)17-14-18-32(45)6)42(16-11-2)51(49-40)35-26-34(47(7,8)9)27-37(28-35)52-36-21-22-39-38-19-12-13-20-41(38)50(43(39)29-36)44-25-33(30(3)4)23-24-48-44;/h12-14,17-27,30H,10-11,15-16H2,1-9H3;/q-2;+2
• InChIKey: KSNCNMMZFDCTNX-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.36
LogP ≤ 5	12.36
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-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443098) is 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

What is the SMILES notation for 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The canonical SMILES for 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)cc(C(C)(C)C)c2)c(CCC)c1-c1c(C)cccc1C.[Pd+2].

What is the InChIKey of 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

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

What are the key properties of 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 793.36 g/mol, XLogP of 12.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dipropylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).