2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

C48H52N4O2Pd — CID 153448231

About 2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)

2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (PubChem CID 153448231) has the molecular formula C48H52N4O2Pd and a molecular weight of 823.39 g/mol. Its IUPAC name is 2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• PubChem CID: 153448231
• Molecular Formula: C48H52N4O2Pd
• Molecular Weight: 823.39 g/mol
• Exact Mass: 822.31
• IUPAC Name: 2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
• SMILES: CCCCCCc1c(-c2ccc(CCC)cc2)c(C(C)C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)C)ccn2)cc(OC)c1.[Pd+2]
• InChI: InChI=1S/C48H52N4O2.Pd/c1-8-10-11-12-18-44-47(35-21-19-34(15-9-2)20-22-35)48(33(5)6)50-52(44)37-28-39(53-7)30-40(29-37)54-38-23-24-42-41-16-13-14-17-43(41)51(45(42)31-38)46-27-36(32(3)4)25-26-49-46;/h13-14,16-17,19-28,30,32-33H,8-12,15,18H2,1-7H3;/q-2;+2
• InChIKey: VBJVZDHFSVFOBF-UHFFFAOYSA-N
• XLogP: 12.75
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.39
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The IUPAC name of 2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) (CID 153448231) is 2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+).

What is the SMILES notation for 2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The canonical SMILES for 2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is CCCCCCc1c(-c2ccc(CCC)cc2)c(C(C)C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)C)ccn2)cc(OC)c1.[Pd+2].

What is the InChIKey of 2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

The InChIKey is VBJVZDHFSVFOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N4O2.Pd/c1-8-10-11-12-18-44-47(35-21-19-34(15-9-2)20-22-35)48(33(5)6)50-52(44)37-28-39(53-7)30-40(29-37)54-38-23-24-42-41-16-13-14-17-43(41)51(45(42)31-38)46-27-36(32(3)4)25-26-49-46;/h13-14,16-17,19-28,30,32-33H,8-12,15,18H2,1-7H3;/q-2;+2.

What are the key properties of 2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)?

2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) has a molecular weight of 823.39 g/mol, XLogP of 12.75, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]-5-methoxybenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+) is sourced from PubChem (CID 153448231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).