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

C38H32N4OPd — CID 153448324

About 2-[3-[3,5-diethyl-4-(3-methylphenyl)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-(3-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153448324) has the molecular formula C38H32N4OPd and a molecular weight of 667.12 g/mol. Its IUPAC name is 2-[3-[3,5-diethyl-4-(3-methylphenyl)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-(3-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153448324
• Molecular Formula: C38H32N4OPd
• Molecular Weight: 667.12 g/mol
• Exact Mass: 666.16
• IUPAC Name: 2-[3-[3,5-diethyl-4-(3-methylphenyl)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-c1cccc(C)c1.[Pd+2]
• InChI: InChI=1S/C38H32N4O.Pd/c1-5-33-38(27-12-9-11-25(3)21-27)34(6-2)42(40-33)28-13-10-14-29(23-28)43-30-17-18-32-31-15-7-8-16-35(31)41(36(32)24-30)37-22-26(4)19-20-39-37;/h7-22H,5-6H2,1-4H3;/q-2;+2
• InChIKey: ZPHULDBCDKJPKG-UHFFFAOYSA-N
• XLogP: 9.16
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.12
LogP ≤ 5	9.16
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-diethyl-4-(3-methylphenyl)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-(3-methylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153448324) is 2-[3-[3,5-diethyl-4-(3-methylphenyl)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-(3-methylphenyl)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-(3-methylphenyl)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-c1cccc(C)c1.[Pd+2].

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

The InChIKey is ZPHULDBCDKJPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N4O.Pd/c1-5-33-38(27-12-9-11-25(3)21-27)34(6-2)42(40-33)28-13-10-14-29(23-28)43-30-17-18-32-31-15-7-8-16-35(31)41(36(32)24-30)37-22-26(4)19-20-39-37;/h7-22H,5-6H2,1-4H3;/q-2;+2.

What are the key properties of 2-[3-[3,5-diethyl-4-(3-methylphenyl)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-(3-methylphenyl)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 667.12 g/mol, XLogP of 9.16, 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-(3-methylphenyl)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 153448324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).