2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

C43H42N4O2Pd — CID 153443094

About 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443094) has the molecular formula C43H42N4O2Pd and a molecular weight of 753.25 g/mol. Its IUPAC name is 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443094
• Molecular Formula: C43H42N4O2Pd
• Molecular Weight: 753.25 g/mol
• Exact Mass: 752.23
• IUPAC Name: 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCCc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(OC)ccn2)[c-]c(-n2nc(CC)c(-c3c(C)cc(C)cc3C)c2CC)c1.[Pd+2]
• InChI: InChI=1S/C43H42N4O2.Pd/c1-8-13-30-22-31(47-38(10-3)43(37(9-2)45-47)42-28(5)20-27(4)21-29(42)6)24-34(23-30)49-33-16-17-36-35-14-11-12-15-39(35)46(40(36)25-33)41-26-32(48-7)18-19-44-41;/h11-12,14-23,26H,8-10,13H2,1-7H3;/q-2;+2
• InChIKey: LAFJOZDZLKYFLL-UHFFFAOYSA-N
• XLogP: 10.43
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.25
LogP ≤ 5	10.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443094) is 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCCc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(OC)ccn2)[c-]c(-n2nc(CC)c(-c3c(C)cc(C)cc3C)c2CC)c1.[Pd+2].

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

The InChIKey is LAFJOZDZLKYFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N4O2.Pd/c1-8-13-30-22-31(47-38(10-3)43(37(9-2)45-47)42-28(5)20-27(4)21-29(42)6)24-34(23-30)49-33-16-17-36-35-14-11-12-15-39(35)46(40(36)25-33)41-26-32(48-7)18-19-44-41;/h11-12,14-23,26H,8-10,13H2,1-7H3;/q-2;+2.

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

2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 753.25 g/mol, XLogP of 10.43, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).