2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C26H18N5OPt-3 — CID 169021355

About 2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 169021355) has the molecular formula C26H18N5OPt-3 and a molecular weight of 611.54 g/mol. Its IUPAC name is 2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 169021355
• Molecular Formula: C26H18N5OPt-3
• Molecular Weight: 611.54 g/mol
• Exact Mass: 611.12
• IUPAC Name: 2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)cnc2)[CH-]1.[Pt]
• InChI: InChI=1S/C26H18N5O.Pt/c1-29-12-13-30(18-29)19-14-21(17-27-16-19)32-20-9-10-23-22-6-2-3-7-24(22)31(25(23)15-20)26-8-4-5-11-28-26;/h2-13,16-18H,1H3;/q-3
• InChIKey: JVDGYEDKWKUHOC-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.54
LogP ≤ 5	5.31
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-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 169021355) is 2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)cnc2)[CH-]1.[Pt].

What is the InChIKey of 2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is JVDGYEDKWKUHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N5O.Pt/c1-29-12-13-30(18-29)19-14-21(17-27-16-19)32-20-9-10-23-22-6-2-3-7-24(22)31(25(23)15-20)26-8-4-5-11-28-26;/h2-13,16-18H,1H3;/q-3;.

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

2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 611.54 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169021355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).