2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C27H18N4OPt — CID 168798816

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

2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 168798816) has the molecular formula C27H18N4OPt and a molecular weight of 609.55 g/mol. Its IUPAC name is 2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 168798816
• Molecular Formula: C27H18N4OPt
• Molecular Weight: 609.55 g/mol
• Exact Mass: 609.11
• IUPAC Name: 2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)n1.[Pt+2]
• InChI: InChI=1S/C27H18N4O.Pt/c1-19-14-16-30(29-19)20-7-6-8-21(17-20)32-22-12-13-24-23-9-2-3-10-25(23)31(26(24)18-22)27-11-4-5-15-28-27;/h2-16H,1H3;/q-2;+2
• InChIKey: HFHNLZNPNQQBNH-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.55
LogP ≤ 5	6.06
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 2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 168798816) is 2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is Cc1ccn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)n1.[Pt+2].

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

The InChIKey is HFHNLZNPNQQBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O.Pt/c1-19-14-16-30(29-19)20-7-6-8-21(17-20)32-22-12-13-24-23-9-2-3-10-25(23)31(26(24)18-22)27-11-4-5-15-28-27;/h2-16H,1H3;/q-2;+2.

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

2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 609.55 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 168798816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).