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

C56H42N8O2Pt — CID 159758959

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

2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+) (PubChem CID 159758959) has the molecular formula C56H42N8O2Pt and a molecular weight of 1054.08 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+)
• PubChem CID: 159758959
• Molecular Formula: C56H42N8O2Pt
• Molecular Weight: 1054.08 g/mol
• Exact Mass: 1053.31
• IUPAC Name: 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+)
• SMILES: Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)n1.Cc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)n1.[Pt+2]
• InChI: InChI=1S/C28H22N4O.C28H20N4O.Pt/c2*1-19-16-20(2)32(30-19)21-8-7-9-22(17-21)33-23-13-14-25-24-10-3-4-11-26(24)31(27(25)18-23)28-12-5-6-15-29-28;/h3-18H,1-2H3;3-16H,1-2H3;/q;-2;+2
• InChIKey: LXMJKUVKJUURQI-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 89.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1054.08
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+) (CID 159758959) is 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+).

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

The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+) is Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)n1.Cc1cc(C)n(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)n1.[Pt+2].

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

The InChIKey is LXMJKUVKJUURQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O.C28H20N4O.Pt/c2*1-19-16-20(2)32(30-19)21-8-7-9-22(17-21)33-23-13-14-25-24-10-3-4-11-26(24)31(27(25)18-23)28-12-5-6-15-29-28;/h3-18H,1-2H3;3-16H,1-2H3;/q;-2;+2.

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

2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+) has a molecular weight of 1054.08 g/mol, XLogP of 13.14, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+) is sourced from PubChem (CID 159758959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).