1-(2,6-diphenylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-1,2-dihydrobenzo[e]benzimidazol-1-ium-2-ide;platinum

C52H34N4OPt-2 — CID 176767290

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

1-(2,6-diphenylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-1,2-dihydrobenzo[e]benzimidazol-1-ium-2-ide;platinum (PubChem CID 176767290) has the molecular formula C52H34N4OPt-2 and a molecular weight of 925.95 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-1,2-dihydrobenzo[e]benzimidazol-1-ium-2-ide;platinum.

Molecular Properties

• Compound Name: 1-(2,6-diphenylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-1,2-dihydrobenzo[e]benzimidazol-1-ium-2-ide;platinum
• PubChem CID: 176767290
• Molecular Formula: C52H34N4OPt-2
• Molecular Weight: 925.95 g/mol
• Exact Mass: 925.24
• IUPAC Name: 1-(2,6-diphenylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-1,2-dihydrobenzo[e]benzimidazol-1-ium-2-ide;platinum
• SMILES: [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-][NH+](c2c(-c3ccccc3)cccc2-c2ccccc2)c2c1ccc1ccccc21
• InChI: InChI=1S/C52H34N4O.Pt/c1-3-15-36(16-4-1)42-24-14-25-43(37-17-5-2-6-18-37)51(42)55-35-54(48-31-28-38-19-7-8-22-44(38)52(48)55)39-20-13-21-40(33-39)57-41-29-30-46-45-23-9-10-26-47(45)56(49(46)34-41)50-27-11-12-32-53-50;/h1-32,35,55H;/q-2
• InChIKey: HDBCVCMDSKQGNL-UHFFFAOYSA-N
• XLogP: 12.18
• TPSA: 34.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.95
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-diphenylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-1,2-dihydrobenzo[e]benzimidazol-1-ium-2-ide;platinum?

The IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-1,2-dihydrobenzo[e]benzimidazol-1-ium-2-ide;platinum (CID 176767290) is 1-(2,6-diphenylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-1,2-dihydrobenzo[e]benzimidazol-1-ium-2-ide;platinum.

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

The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-1,2-dihydrobenzo[e]benzimidazol-1-ium-2-ide;platinum is [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-][NH+](c2c(-c3ccccc3)cccc2-c2ccccc2)c2c1ccc1ccccc21.

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

The InChIKey is HDBCVCMDSKQGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O.Pt/c1-3-15-36(16-4-1)42-24-14-25-43(37-17-5-2-6-18-37)51(42)55-35-54(48-31-28-38-19-7-8-22-44(38)52(48)55)39-20-13-21-40(33-39)57-41-29-30-46-45-23-9-10-26-47(45)56(49(46)34-41)50-27-11-12-32-53-50;/h1-32,35,55H;/q-2;.

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

1-(2,6-diphenylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-1,2-dihydrobenzo[e]benzimidazol-1-ium-2-ide;platinum has a molecular weight of 925.95 g/mol, XLogP of 12.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diphenylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-1,2-dihydrobenzo[e]benzimidazol-1-ium-2-ide;platinum is sourced from PubChem (CID 176767290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).