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

C42H40N4OPd — CID 153443371

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

2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443371) has the molecular formula C42H40N4OPd and a molecular weight of 723.23 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443371
• Molecular Formula: C42H40N4OPd
• Molecular Weight: 723.23 g/mol
• Exact Mass: 722.22
• IUPAC Name: 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCc1c(C)c(C)c(C)c(CC)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.[Pd+2]
• InChI: InChI=1S/C42H40N4O.Pd/c1-9-34-27(5)26(4)28(6)35(10-2)42(34)41-29(7)44-46(30(41)8)31-14-13-15-32(23-31)47-33-18-19-37-36-16-11-12-17-38(36)45(39(37)24-33)40-22-25(3)20-21-43-40;/h11-22H,9-10H2,1-8H3;/q-2;+2
• InChIKey: ZOHWQCLHPBPKTO-UHFFFAOYSA-N
• XLogP: 10.40
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.23
LogP ≤ 5	10.40
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-diethyl-3,4,5-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443371) is 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCc1c(C)c(C)c(C)c(CC)c1-c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1C.[Pd+2].

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

The InChIKey is ZOHWQCLHPBPKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N4O.Pd/c1-9-34-27(5)26(4)28(6)35(10-2)42(34)41-29(7)44-46(30(41)8)31-14-13-15-32(23-31)47-33-18-19-37-36-16-11-12-17-38(36)45(39(37)24-33)40-22-25(3)20-21-43-40;/h11-22H,9-10H2,1-8H3;/q-2;+2.

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

2-[3-[4-(2,6-diethyl-3,4,5-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 723.23 g/mol, XLogP of 10.40, 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-diethyl-3,4,5-trimethylphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).