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

C45H46N4OPd — CID 153442647

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

2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153442647) has the molecular formula C45H46N4OPd and a molecular weight of 765.31 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153442647
• Molecular Formula: C45H46N4OPd
• Molecular Weight: 765.31 g/mol
• Exact Mass: 764.27
• IUPAC Name: 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: Cc1cc(C)c(-c2c(C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c2C)c(C)c1.[Pd+2]
• InChI: InChI=1S/C45H46N4O.Pd/c1-27-20-28(2)42(29(3)21-27)43-30(4)47-49(31(43)5)34-22-33(45(9,10)11)23-36(25-34)50-35-16-17-38-37-14-12-13-15-39(37)48(40(38)26-35)41-24-32(18-19-46-41)44(6,7)8;/h12-24H,1-11H3;/q-2;+2
• InChIKey: IYWQODUUGPODSZ-UHFFFAOYSA-N
• XLogP: 11.56
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.31
LogP ≤ 5	11.56
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-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153442647) is 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is Cc1cc(C)c(-c2c(C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)(C)C)c3)c2C)c(C)c1.[Pd+2].

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

The InChIKey is IYWQODUUGPODSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pd/c1-27-20-28(2)42(29(3)21-27)43-30(4)47-49(31(43)5)34-22-33(45(9,10)11)23-36(25-34)50-35-16-17-38-37-14-12-13-15-39(37)48(40(38)26-35)41-24-32(18-19-46-41)44(6,7)8;/h12-24H,1-11H3;/q-2;+2.

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

2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 765.31 g/mol, XLogP of 11.56, 5 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-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153442647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).