2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+)

C31H19N5OPt+2 — CID 86343604

About 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+)

2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+) (PubChem CID 86343604) has the molecular formula C31H19N5OPt+2 and a molecular weight of 672.61 g/mol. Its IUPAC name is 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+).

Molecular Properties

• Compound Name: 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+)
• PubChem CID: 86343604
• Molecular Formula: C31H19N5OPt+2
• Molecular Weight: 672.61 g/mol
• Exact Mass: 672.12
• IUPAC Name: 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+)
• SMILES: [Pt+4].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ncccn2)cccc1-n1cc(-c2ccccc2)cn1
• InChI: InChI=1S/C31H19N5O.Pt/c1-2-8-22(9-3-1)23-20-34-35(21-23)24-10-6-11-25(18-24)37-26-14-15-28-27-12-4-5-13-29(27)36(30(28)19-26)31-32-16-7-17-33-31;/h1-17,20-21H;/q-2;+4
• InChIKey: PLNVWYMPSPJGIO-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.61
LogP ≤ 5	6.82
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-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+)?

The IUPAC name of 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+) (CID 86343604) is 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+).

What is the SMILES notation for 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+)?

The canonical SMILES for 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+) is [Pt+4].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ncccn2)cccc1-n1cc(-c2ccccc2)cn1.

What is the InChIKey of 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+)?

The InChIKey is PLNVWYMPSPJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N5O.Pt/c1-2-8-22(9-3-1)23-20-34-35(21-23)24-10-6-11-25(18-24)37-26-14-15-28-27-12-4-5-13-29(27)36(30(28)19-26)31-32-16-7-17-33-31;/h1-17,20-21H;/q-2;+4.

What are the key properties of 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+)?

2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+) has a molecular weight of 672.61 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+) is sourced from PubChem (CID 86343604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).