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

C41H38N4OPd — CID 153443606

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

2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443606) has the molecular formula C41H38N4OPd and a molecular weight of 709.20 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443606
• Molecular Formula: C41H38N4OPd
• Molecular Weight: 709.20 g/mol
• Exact Mass: 708.21
• IUPAC Name: 2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cccc6C)c5C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C41H38N4O.Pd/c1-8-30-18-19-42-39(20-30)44-37-15-10-9-14-35(37)36-17-16-33(24-38(36)44)46-34-22-31(25(2)3)21-32(23-34)45-29(7)41(28(6)43-45)40-26(4)12-11-13-27(40)5;/h9-22,25H,8H2,1-7H3;/q-2;+2
• InChIKey: KTQWASYLHHVJJT-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.20
LogP ≤ 5	10.34
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-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443606) is 2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cccc6C)c5C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pd+2].

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

The InChIKey is KTQWASYLHHVJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O.Pd/c1-8-30-18-19-42-39(20-30)44-37-15-10-9-14-35(37)36-17-16-33(24-38(36)44)46-34-22-31(25(2)3)21-32(23-34)45-29(7)41(28(6)43-45)40-26(4)12-11-13-27(40)5;/h9-22,25H,8H2,1-7H3;/q-2;+2.

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

2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 709.20 g/mol, XLogP of 10.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).