2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

C45H46N4OPd — CID 153443069

About 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443069) has the molecular formula C45H46N4OPd and a molecular weight of 765.31 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443069
• Molecular Formula: C45H46N4OPd
• Molecular Weight: 765.31 g/mol
• Exact Mass: 764.27
• IUPAC Name: 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cc(C)cc6C)c5C)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C45H46N4O.Pd/c1-10-11-14-33-19-20-46-42(23-33)48-40-16-13-12-15-38(40)39-18-17-36(27-41(39)48)50-37-25-34(45(7,8)9)24-35(26-37)49-32(6)44(31(5)47-49)43-29(3)21-28(2)22-30(43)4;/h12-13,15-25H,10-11,14H2,1-9H3;/q-2;+2
• InChIKey: NFQQFVGQZZOOBP-UHFFFAOYSA-N
• XLogP: 11.60
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.31
LogP ≤ 5	11.60
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-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443069) is 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

What is the SMILES notation for 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The canonical SMILES for 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)cc(C)cc6C)c5C)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pd+2].

What is the InChIKey of 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The InChIKey is NFQQFVGQZZOOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pd/c1-10-11-14-33-19-20-46-42(23-33)48-40-16-13-12-15-38(40)39-18-17-36(27-41(39)48)50-37-25-34(45(7,8)9)24-35(26-37)49-32(6)44(31(5)47-49)43-29(3)21-28(2)22-30(43)4;/h12-13,15-25H,10-11,14H2,1-9H3;/q-2;+2.

What are the key properties of 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 765.31 g/mol, XLogP of 11.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).