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

C49H54N4OPd — CID 153443096

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

2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443096) has the molecular formula C49H54N4OPd and a molecular weight of 821.42 g/mol. Its IUPAC name is 2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443096
• Molecular Formula: C49H54N4OPd
• Molecular Weight: 821.42 g/mol
• Exact Mass: 820.33
• IUPAC Name: 2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)cc(C(C)C)c2)c(C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.[Pd+2]
• InChI: InChI=1S/C49H54N4O.Pd/c1-28(2)35-19-20-50-47(25-35)52-45-16-14-13-15-41(45)42-18-17-39(27-46(42)52)54-40-22-36(29(3)4)21-38(26-40)53-34(12)48(33(11)51-53)49-43(31(7)8)23-37(30(5)6)24-44(49)32(9)10;/h13-25,28-32H,1-12H3;/q-2;+2
• InChIKey: PMSLKBRUJNYNAM-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.42
LogP ≤ 5	13.66
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-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443096) is 2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-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-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The canonical SMILES for 2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)cc(C(C)C)c2)c(C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.[Pd+2].

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

The InChIKey is PMSLKBRUJNYNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H54N4O.Pd/c1-28(2)35-19-20-50-47(25-35)52-45-16-14-13-15-41(45)42-18-17-39(27-46(42)52)54-40-22-36(29(3)4)21-38(26-40)53-34(12)48(33(11)51-53)49-43(31(7)8)23-37(30(5)6)24-44(49)32(9)10;/h13-25,28-32H,1-12H3;/q-2;+2.

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

2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 821.42 g/mol, XLogP of 13.66, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).