2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C₃₇H₂₃F₃N₆OPt — CID 153415379

About 2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415379) has the molecular formula C₃₇H₂₃F₃N₆OPt and a molecular weight of 819.70 g/mol. Its IUPAC name is 2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415379
• Molecular Formula: C₃₇H₂₃F₃N₆OPt
• Molecular Weight: 819.70 g/mol
• Exact Mass: 819.15
• IUPAC Name: 2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C6C=NC=N6)c(-c6ccccc6)c5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C37H23F3N6O.Pt/c1-23-16-17-42-33(18-23)45-31-13-6-5-12-28(31)29-15-14-27(20-32(29)45)47-26-11-7-10-25(19-26)46-36(37(38,39)40)34(24-8-3-2-4-9-24)35(44-46)30-21-41-22-43-30;/h2-18,21-22,30H,1H3;/q-2;+2
• InChIKey: PXJLIQNVFNCMBW-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 69.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.70
LogP ≤ 5	8.90
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 2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415379) is 2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C6C=NC=N6)c(-c6ccccc6)c5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is PXJLIQNVFNCMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23F3N6O.Pt/c1-23-16-17-42-33(18-23)45-31-13-6-5-12-28(31)29-15-14-27(20-32(29)45)47-26-11-7-10-25(19-26)46-36(37(38,39)40)34(24-8-3-2-4-9-24)35(44-46)30-21-41-22-43-30;/h2-18,21-22,30H,1H3;/q-2;+2.

What are the key properties of 2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 819.70 g/mol, XLogP of 8.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153415379 — identifiers, structure, computed properties (public domain)

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