9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+)

C28H20N4OPt — CID 140592559

About 9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+)

9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 140592559) has the molecular formula C28H20N4OPt and a molecular weight of 623.57 g/mol. Its IUPAC name is 9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 140592559
• Molecular Formula: C28H20N4OPt
• Molecular Weight: 623.57 g/mol
• Exact Mass: 623.13
• IUPAC Name: 9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(C)n(-c2[c-]c(-n3c4[c-]c(Oc5ccccn5)ccc4c4ccccc43)ccc2)n1.[Pt+2]
• InChI: InChI=1S/C28H20N4O.Pt/c1-19-16-20(2)32(30-19)22-9-7-8-21(17-22)31-26-11-4-3-10-24(26)25-14-13-23(18-27(25)31)33-28-12-5-6-15-29-28;/h3-16H,1-2H3;/q-2;+2
• InChIKey: HGXXVEXCMSQIJZ-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.57
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+) (CID 140592559) is 9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)n(-c2[c-]c(-n3c4[c-]c(Oc5ccccn5)ccc4c4ccccc43)ccc2)n1.[Pt+2].

What is the InChIKey of 9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is HGXXVEXCMSQIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O.Pt/c1-19-16-20(2)32(30-19)22-9-7-8-21(17-22)31-26-11-4-3-10-24(26)25-14-13-23(18-27(25)31)33-28-12-5-6-15-29-28;/h3-16H,1-2H3;/q-2;+2.

What are the key properties of 9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+)?

9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 623.57 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 140592559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).