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

C49H38N4O3Pd — CID 153443475

About 2-[3-[4-(3,4-dimethyl-2,6-diphenoxyphenyl)-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-(3,4-dimethyl-2,6-diphenoxyphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443475) has the molecular formula C49H38N4O3Pd and a molecular weight of 837.29 g/mol. Its IUPAC name is 2-[3-[4-(3,4-dimethyl-2,6-diphenoxyphenyl)-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-(3,4-dimethyl-2,6-diphenoxyphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443475
• Molecular Formula: C49H38N4O3Pd
• Molecular Weight: 837.29 g/mol
• Exact Mass: 836.20
• IUPAC Name: 2-[3-[4-(3,4-dimethyl-2,6-diphenoxyphenyl)-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(Oc7ccccc7)cc(C)c(C)c6Oc6ccccc6)c5C)ccc4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C49H38N4O3.Pd/c1-31-25-26-50-46(27-31)52-43-22-13-12-21-41(43)42-24-23-40(30-44(42)52)54-39-20-14-15-36(29-39)53-35(5)47(34(4)51-53)48-45(55-37-16-8-6-9-17-37)28-32(2)33(3)49(48)56-38-18-10-7-11-19-38;/h6-28H,1-5H3;/q-2;+2
• InChIKey: YJKMWDYZTLCJEH-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.29
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-(3,4-dimethyl-2,6-diphenoxyphenyl)-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-(3,4-dimethyl-2,6-diphenoxyphenyl)-3,5-dimethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443475) is 2-[3-[4-(3,4-dimethyl-2,6-diphenoxyphenyl)-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-(3,4-dimethyl-2,6-diphenoxyphenyl)-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-(3,4-dimethyl-2,6-diphenoxyphenyl)-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(Oc7ccccc7)cc(C)c(C)c6Oc6ccccc6)c5C)ccc4)ccc3c3ccccc32)c1.[Pd+2].

What is the InChIKey of 2-[3-[4-(3,4-dimethyl-2,6-diphenoxyphenyl)-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 YJKMWDYZTLCJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N4O3.Pd/c1-31-25-26-50-46(27-31)52-43-22-13-12-21-41(43)42-24-23-40(30-44(42)52)54-39-20-14-15-36(29-39)53-35(5)47(34(4)51-53)48-45(55-37-16-8-6-9-17-37)28-32(2)33(3)49(48)56-38-18-10-7-11-19-38;/h6-28H,1-5H3;/q-2;+2.

What are the key properties of 2-[3-[4-(3,4-dimethyl-2,6-diphenoxyphenyl)-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-(3,4-dimethyl-2,6-diphenoxyphenyl)-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 837.29 g/mol, XLogP of 12.55, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(3,4-dimethyl-2,6-diphenoxyphenyl)-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 153443475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).