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

C42H40N4OPd — CID 153442678

About 2-[3-[4-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-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-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153442678) has the molecular formula C42H40N4OPd and a molecular weight of 723.23 g/mol. Its IUPAC name is 2-[3-[4-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-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-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153442678
• Molecular Formula: C42H40N4OPd
• Molecular Weight: 723.23 g/mol
• Exact Mass: 722.22
• IUPAC Name: 2-[3-[4-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cc(C)cc6CCC(C)C)c5C)ccc4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C42H40N4O.Pd/c1-26(2)15-16-32-22-28(4)21-29(5)41(32)42-30(6)44-46(31(42)7)33-11-10-12-34(24-33)47-35-17-18-37-36-13-8-9-14-38(36)45(39(37)25-35)40-23-27(3)19-20-43-40;/h8-14,17-23,26H,15-16H2,1-7H3;/q-2;+2
• InChIKey: PHJMOHIHOISUOP-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.23
LogP ≤ 5	10.55
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-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-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-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153442678) is 2-[3-[4-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-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-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-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-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cc(C)cc6CCC(C)C)c5C)ccc4)ccc3c3ccccc32)c1.[Pd+2].

What is the InChIKey of 2-[3-[4-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-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 PHJMOHIHOISUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N4O.Pd/c1-26(2)15-16-32-22-28(4)21-29(5)41(32)42-30(6)44-46(31(42)7)33-11-10-12-34(24-33)47-35-17-18-37-36-13-8-9-14-38(36)45(39(37)25-35)40-23-27(3)19-20-43-40;/h8-14,17-23,26H,15-16H2,1-7H3;/q-2;+2.

What are the key properties of 2-[3-[4-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-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-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-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 10.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-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 153442678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).