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

C37H26F4N4OPd — CID 153442935

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

2-[3-[3,5-diethyl-4-(2,3,5,6-tetrafluorophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153442935) has the molecular formula C37H26F4N4OPd and a molecular weight of 725.05 g/mol. Its IUPAC name is 2-[3-[3,5-diethyl-4-(2,3,5,6-tetrafluorophenyl)pyrazol-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-[3,5-diethyl-4-(2,3,5,6-tetrafluorophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153442935
• Molecular Formula: C37H26F4N4OPd
• Molecular Weight: 725.05 g/mol
• Exact Mass: 724.11
• IUPAC Name: 2-[3-[3,5-diethyl-4-(2,3,5,6-tetrafluorophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CC)c1-c1c(F)c(F)cc(F)c1F.[Pd+2]
• InChI: InChI=1S/C37H26F4N4O.Pd/c1-4-29-34(35-36(40)27(38)20-28(39)37(35)41)30(5-2)45(43-29)22-9-8-10-23(18-22)46-24-13-14-26-25-11-6-7-12-31(25)44(32(26)19-24)33-17-21(3)15-16-42-33;/h6-17,20H,4-5H2,1-3H3;/q-2;+2
• InChIKey: KGJYSZXGRSTYKP-UHFFFAOYSA-N
• XLogP: 9.41
• 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	725.05
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-diethyl-4-(2,3,5,6-tetrafluorophenyl)pyrazol-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-[3,5-diethyl-4-(2,3,5,6-tetrafluorophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153442935) is 2-[3-[3,5-diethyl-4-(2,3,5,6-tetrafluorophenyl)pyrazol-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-[3,5-diethyl-4-(2,3,5,6-tetrafluorophenyl)pyrazol-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-[3,5-diethyl-4-(2,3,5,6-tetrafluorophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(CC)c1-c1c(F)c(F)cc(F)c1F.[Pd+2].

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

The InChIKey is KGJYSZXGRSTYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26F4N4O.Pd/c1-4-29-34(35-36(40)27(38)20-28(39)37(35)41)30(5-2)45(43-29)22-9-8-10-23(18-22)46-24-13-14-26-25-11-6-7-12-31(25)44(32(26)19-24)33-17-21(3)15-16-42-33;/h6-17,20H,4-5H2,1-3H3;/q-2;+2.

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

2-[3-[3,5-diethyl-4-(2,3,5,6-tetrafluorophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 725.05 g/mol, XLogP of 9.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-diethyl-4-(2,3,5,6-tetrafluorophenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153442935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).