4-[3,5-ditert-butyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)

C45H47N5OPd — CID 153442751

About 4-[3,5-ditert-butyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)

4-[3,5-ditert-butyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+) (PubChem CID 153442751) has the molecular formula C45H47N5OPd and a molecular weight of 780.33 g/mol. Its IUPAC name is 4-[3,5-ditert-butyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+).

Molecular Properties

• Compound Name: 4-[3,5-ditert-butyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)
• PubChem CID: 153442751
• Molecular Formula: C45H47N5OPd
• Molecular Weight: 780.33 g/mol
• Exact Mass: 779.28
• IUPAC Name: 4-[3,5-ditert-butyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C(C)(C)C)c(-c6c(C)cc(N(C)C)cc6C)c5C(C)(C)C)ccc4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C45H47N5O.Pd/c1-28-21-22-46-39(23-28)49-37-18-13-12-17-35(37)36-20-19-34(27-38(36)49)51-33-16-14-15-31(26-33)50-43(45(7,8)9)41(42(47-50)44(4,5)6)40-29(2)24-32(48(10)11)25-30(40)3;/h12-25H,1-11H3;/q-2;+2
• InChIKey: INYLCSPSGADOKU-UHFFFAOYSA-N
• XLogP: 11.01
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.33
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-ditert-butyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+)?

The IUPAC name of 4-[3,5-ditert-butyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+) (CID 153442751) is 4-[3,5-ditert-butyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+).

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

The canonical SMILES for 4-[3,5-ditert-butyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C(C)(C)C)c(-c6c(C)cc(N(C)C)cc6C)c5C(C)(C)C)ccc4)ccc3c3ccccc32)c1.[Pd+2].

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

The InChIKey is INYLCSPSGADOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47N5O.Pd/c1-28-21-22-46-39(23-28)49-37-18-13-12-17-35(37)36-20-19-34(27-38(36)49)51-33-16-14-15-31(26-33)50-43(45(7,8)9)41(42(47-50)44(4,5)6)40-29(2)24-32(48(10)11)25-30(40)3;/h12-25H,1-11H3;/q-2;+2.

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

4-[3,5-ditert-butyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+) has a molecular weight of 780.33 g/mol, XLogP of 11.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3,5-ditert-butyl-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-N,N,3,5-tetramethylaniline;palladium(2+) is sourced from PubChem (CID 153442751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).