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

C43H42N4O2Pd — CID 153443549

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

2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443549) has the molecular formula C43H42N4O2Pd and a molecular weight of 753.25 g/mol. Its IUPAC name is 2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443549
• Molecular Formula: C43H42N4O2Pd
• Molecular Weight: 753.25 g/mol
• Exact Mass: 752.23
• IUPAC Name: 2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCCCc1c(-c2c(C)cc(C)cc2C)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(OC)ccn2)cc(C)c1.[Pd+2]
• InChI: InChI=1S/C43H42N4O2.Pd/c1-8-10-14-39-43(42-29(5)20-27(3)21-30(42)6)37(9-2)45-47(39)31-22-28(4)23-34(24-31)49-33-16-17-36-35-13-11-12-15-38(35)46(40(36)25-33)41-26-32(48-7)18-19-44-41;/h11-13,15-23,26H,8-10,14H2,1-7H3;/q-2;+2
• InChIKey: PVRBMZGEHQJVHH-UHFFFAOYSA-N
• XLogP: 10.57
• 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	10.57
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-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443549) is 2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCCCc1c(-c2c(C)cc(C)cc2C)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(OC)ccn2)cc(C)c1.[Pd+2].

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

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

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

2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-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 10.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-butyl-3-ethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).