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

C45H30N4OPd — CID 153448063

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

9-(4-methyl-2-pyridinyl)-2-[3-(3,4,5-triphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153448063) has the molecular formula C45H30N4OPd and a molecular weight of 749.18 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-(3,4,5-triphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 9-(4-methyl-2-pyridinyl)-2-[3-(3,4,5-triphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153448063
• Molecular Formula: C45H30N4OPd
• Molecular Weight: 749.18 g/mol
• Exact Mass: 748.15
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-(3,4,5-triphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)ccc4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C45H30N4O.Pd/c1-31-26-27-46-42(28-31)48-40-23-12-11-22-38(40)39-25-24-37(30-41(39)48)50-36-21-13-20-35(29-36)49-45(34-18-9-4-10-19-34)43(32-14-5-2-6-15-32)44(47-49)33-16-7-3-8-17-33;/h2-28H,1H3;/q-2;+2
• InChIKey: CZHYKBHICDYKLL-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.18
LogP ≤ 5	11.06
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 9-(4-methyl-2-pyridinyl)-2-[3-(3,4,5-triphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-(3,4,5-triphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) (CID 153448063) is 9-(4-methyl-2-pyridinyl)-2-[3-(3,4,5-triphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+).

What is the SMILES notation for 9-(4-methyl-2-pyridinyl)-2-[3-(3,4,5-triphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)?

The canonical SMILES for 9-(4-methyl-2-pyridinyl)-2-[3-(3,4,5-triphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)ccc4)ccc3c3ccccc32)c1.[Pd+2].

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

The InChIKey is CZHYKBHICDYKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O.Pd/c1-31-26-27-46-42(28-31)48-40-23-12-11-22-38(40)39-25-24-37(30-41(39)48)50-36-21-13-20-35(29-36)49-45(34-18-9-4-10-19-34)43(32-14-5-2-6-15-32)44(47-49)33-16-7-3-8-17-33;/h2-28H,1H3;/q-2;+2.

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

9-(4-methyl-2-pyridinyl)-2-[3-(3,4,5-triphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 749.18 g/mol, XLogP of 11.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methyl-2-pyridinyl)-2-[3-(3,4,5-triphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153448063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).