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

C43H42N4OPd — CID 153443393

About 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-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-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443393) has the molecular formula C43H42N4OPd and a molecular weight of 737.26 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-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-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443393
• Molecular Formula: C43H42N4OPd
• Molecular Weight: 737.26 g/mol
• Exact Mass: 736.24
• IUPAC Name: 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: Cc1cccc(C)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)cc(C(C)(C)C)c2)c1C.[Pd+2]
• InChI: InChI=1S/C43H42N4O.Pd/c1-26(2)31-19-20-44-40(21-31)46-38-16-11-10-15-36(38)37-18-17-34(25-39(37)46)48-35-23-32(43(7,8)9)22-33(24-35)47-30(6)42(29(5)45-47)41-27(3)13-12-14-28(41)4;/h10-23,26H,1-9H3;/q-2;+2
• InChIKey: HNYQLJGQWKGLCB-UHFFFAOYSA-N
• XLogP: 11.08
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.26
LogP ≤ 5	11.08
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-dimethylpyrazol-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-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443393) is 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-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-dimethylpyrazol-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-dimethylpyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is Cc1cccc(C)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)cc(C(C)(C)C)c2)c1C.[Pd+2].

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

The InChIKey is HNYQLJGQWKGLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N4O.Pd/c1-26(2)31-19-20-44-40(21-31)46-38-16-11-10-15-36(38)37-18-17-34(25-39(37)46)48-35-23-32(43(7,8)9)22-33(24-35)47-30(6)42(29(5)45-47)41-27(3)13-12-14-28(41)4;/h10-23,26H,1-9H3;/q-2;+2.

What are the key properties of 2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-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-dimethylpyrazol-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 737.26 g/mol, XLogP of 11.08, 6 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-dimethylpyrazol-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 153443393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).