2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

C41H38N4O2Pd — CID 153443121

About 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153443121) has the molecular formula C41H38N4O2Pd and a molecular weight of 725.20 g/mol. Its IUPAC name is 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153443121
• Molecular Formula: C41H38N4O2Pd
• Molecular Weight: 725.20 g/mol
• Exact Mass: 724.20
• IUPAC Name: 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)c(C)c(C)c(C)c6C)c5C)cc(C)c4)ccc3c3ccccc32)c1.[Pd+2]
• InChI: InChI=1S/C41H38N4O2.Pd/c1-23-18-31(45-30(8)41(29(7)43-45)40-27(5)25(3)24(2)26(4)28(40)6)20-34(19-23)47-33-14-15-36-35-12-10-11-13-37(35)44(38(36)21-33)39-22-32(46-9)16-17-42-39;/h10-19,22H,1-9H3;/q-2;+2
• InChIKey: QRUHIDRKVQZBTM-UHFFFAOYSA-N
• XLogP: 9.90
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.20
LogP ≤ 5	9.90
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 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153443121) is 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

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

The canonical SMILES for 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(-c6c(C)c(C)c(C)c(C)c6C)c5C)cc(C)c4)ccc3c3ccccc32)c1.[Pd+2].

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

The InChIKey is QRUHIDRKVQZBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O2.Pd/c1-23-18-31(45-30(8)41(29(7)43-45)40-27(5)25(3)24(2)26(4)28(40)6)20-34(19-23)47-33-14-15-36-35-12-10-11-13-37(35)44(38(36)21-33)39-22-32(46-9)16-17-42-39;/h10-19,22H,1-9H3;/q-2;+2.

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

2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 725.20 g/mol, XLogP of 9.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153443121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).