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

C47H42N4OPd — CID 153442670

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153442670) has the molecular formula C47H42N4OPd and a molecular weight of 785.30 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153442670
• Molecular Formula: C47H42N4OPd
• Molecular Weight: 785.30 g/mol
• Exact Mass: 784.24
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2nc(C)c(-c3c(C)cc(-c4ccccc4)cc3C)c2C)c1.[Pd+2]
• InChI: InChI=1S/C47H42N4O.Pd/c1-29-22-37(51-33(5)46(32(4)49-51)45-30(2)24-35(25-31(45)3)34-14-10-9-11-15-34)27-39(23-29)52-38-18-19-41-40-16-12-13-17-42(40)50(43(41)28-38)44-26-36(20-21-48-44)47(6,7)8;/h9-26H,1-8H3;/q-2;+2
• InChIKey: OYPMPIXEKQRZET-UHFFFAOYSA-N
• XLogP: 11.93
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.30
LogP ≤ 5	11.93
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-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) (CID 153442670) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) is Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2nc(C)c(-c3c(C)cc(-c4ccccc4)cc3C)c2C)c1.[Pd+2].

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

The InChIKey is OYPMPIXEKQRZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H42N4O.Pd/c1-29-22-37(51-33(5)46(32(4)49-51)45-30(2)24-35(25-31(45)3)34-14-10-9-11-15-34)27-39(23-29)52-38-18-19-41-40-16-12-13-17-42(40)50(43(41)28-38)44-26-36(20-21-48-44)47(6,7)8;/h9-26H,1-8H3;/q-2;+2.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 785.30 g/mol, XLogP of 11.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153442670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).