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

C44H36N4OPd — CID 153443184

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

2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443184) has the molecular formula C44H36N4OPd and a molecular weight of 743.22 g/mol. Its IUPAC name is 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443184
• Molecular Formula: C44H36N4OPd
• Molecular Weight: 743.22 g/mol
• Exact Mass: 742.19
• IUPAC Name: 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3ccccc3)ccn2)[c-]c(-n2nc(C)c(-c3c(C)cc(C)cc3C)c2C)c1.[Pd+2]
• InChI: InChI=1S/C44H36N4O.Pd/c1-27-20-29(3)43(30(4)21-27)44-31(5)46-48(32(44)6)35-22-28(2)23-37(25-35)49-36-16-17-39-38-14-10-11-15-40(38)47(41(39)26-36)42-24-34(18-19-45-42)33-12-8-7-9-13-33;/h7-24H,1-6H3;/q-2;+2
• InChIKey: XODSCPQXJDIADB-UHFFFAOYSA-N
• XLogP: 10.94
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.22
LogP ≤ 5	10.94
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-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443184) is 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(-c3ccccc3)ccn2)[c-]c(-n2nc(C)c(-c3c(C)cc(C)cc3C)c2C)c1.[Pd+2].

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

The InChIKey is XODSCPQXJDIADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N4O.Pd/c1-27-20-29(3)43(30(4)21-27)44-31(5)46-48(32(44)6)35-22-28(2)23-37(25-35)49-36-16-17-39-38-14-10-11-15-40(38)47(41(39)26-36)42-24-34(18-19-45-42)33-12-8-7-9-13-33;/h7-24H,1-6H3;/q-2;+2.

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

2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 743.22 g/mol, XLogP of 10.94, 6 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-trimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).