1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum

C50H31N6OPt-3 — CID 164731596

About 1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum

1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum (PubChem CID 164731596) has the molecular formula C50H31N6OPt-3 and a molecular weight of 926.92 g/mol. Its IUPAC name is 1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum
• PubChem CID: 164731596
• Molecular Formula: C50H31N6OPt-3
• Molecular Weight: 926.92 g/mol
• Exact Mass: 926.22
• IUPAC Name: 1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum
• SMILES: [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-]N(c2c(-c3ccccn3)cccc2-c2ccccn2)c2c1ccc1ccccc21
• InChI: InChI=1S/C50H31N6O.Pt/c1-2-16-38-34(13-1)24-27-46-50(38)55(49-41(43-20-5-8-28-51-43)18-12-19-42(49)44-21-6-9-29-52-44)33-54(46)35-14-11-15-36(31-35)57-37-25-26-40-39-17-3-4-22-45(39)56(47(40)32-37)48-23-7-10-30-53-48;/h1-30,33H;/q-3
• InChIKey: XATLMPUUWDCFGY-UHFFFAOYSA-N
• XLogP: 12.26
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.92
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?

The IUPAC name of 1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum (CID 164731596) is 1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum.

What is the SMILES notation for 1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?

The canonical SMILES for 1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum is [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-]N(c2c(-c3ccccn3)cccc2-c2ccccn2)c2c1ccc1ccccc21.

What is the InChIKey of 1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?

The InChIKey is XATLMPUUWDCFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N6O.Pt/c1-2-16-38-34(13-1)24-27-46-50(38)55(49-41(43-20-5-8-28-51-43)18-12-19-42(49)44-21-6-9-29-52-44)33-54(46)35-14-11-15-36(31-35)57-37-25-26-40-39-17-3-4-22-45(39)56(47(40)32-37)48-23-7-10-30-53-48;/h1-30,33H;/q-3;.

What are the key properties of 1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?

1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum has a molecular weight of 926.92 g/mol, XLogP of 12.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum is sourced from PubChem (CID 164731596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).