9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C₄₂H₃₃N₅O₂Pt — CID 153415226

About 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415226) has the molecular formula C₄₂H₃₃N₅O₂Pt and a molecular weight of 834.84 g/mol. Its IUPAC name is 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415226
• Molecular Formula: C₄₂H₃₃N₅O₂Pt
• Molecular Weight: 834.84 g/mol
• Exact Mass: 834.23
• IUPAC Name: 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(OC)c(-c6ccc(C)cc6)c5-c5ccncc5)cc(C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C42H33N5O2.Pt/c1-5-29-16-21-44-39(24-29)46-37-9-7-6-8-35(37)36-15-14-33(26-38(36)46)49-34-23-28(3)22-32(25-34)47-41(31-17-19-43-20-18-31)40(42(45-47)48-4)30-12-10-27(2)11-13-30;/h6-24H,5H2,1-4H3;/q-2;+2
• InChIKey: DQKFDCRULNNTQL-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 66.99 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.84
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153415226) is 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(OC)c(-c6ccc(C)cc6)c5-c5ccncc5)cc(C)c4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is DQKFDCRULNNTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N5O2.Pt/c1-5-29-16-21-44-39(24-29)46-37-9-7-6-8-35(37)36-15-14-33(26-38(36)46)49-34-23-28(3)22-32(25-34)47-41(31-17-19-43-20-18-31)40(42(45-47)48-4)30-12-10-27(2)11-13-30;/h6-24H,5H2,1-4H3;/q-2;+2.

What are the key properties of 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 834.84 g/mol, XLogP of 9.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-ethyl-2-pyridinyl)-2-[3-[3-methoxy-4-(4-methylphenyl)-5-pyridin-4-ylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153415226 — identifiers, structure, computed properties (public domain)

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