2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C67H44N4OPt-2 — CID 170539559

About 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 170539559) has the molecular formula C67H44N4OPt-2 and a molecular weight of 1116.19 g/mol. Its IUPAC name is 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 170539559
• Molecular Formula: C67H44N4OPt-2
• Molecular Weight: 1116.19 g/mol
• Exact Mass: 1115.32
• IUPAC Name: 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1cc2c3ccccc3n(-c3ccccn3)c2[c-]c1Oc1[c-]c(-n2[c-][n+](-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)ccc1.[Pt]
• InChI: InChI=1S/C67H44N4O.Pt/c1-46-57(50-28-12-5-13-29-50)40-51(47-22-6-2-7-23-47)41-58(46)60-43-59-56-32-14-15-35-61(56)71(66-38-18-19-39-68-66)64(59)44-65(60)72-53-31-20-30-52(42-53)69-45-70(63-37-17-16-36-62(63)69)67-54(48-24-8-3-9-25-48)33-21-34-55(67)49-26-10-4-11-27-49;/h2-41,43H,1H3;/q-2
• InChIKey: PYKFQYQCPJWVFX-UHFFFAOYSA-N
• XLogP: 16.23
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1116.19
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 170539559) is 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1cc2c3ccccc3n(-c3ccccn3)c2[c-]c1Oc1[c-]c(-n2[c-][n+](-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)ccc1.[Pt].

What is the InChIKey of 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is PYKFQYQCPJWVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N4O.Pt/c1-46-57(50-28-12-5-13-29-50)40-51(47-22-6-2-7-23-47)41-58(46)60-43-59-56-32-14-15-35-61(56)71(66-38-18-19-39-68-66)64(59)44-65(60)72-53-31-20-30-52(42-53)69-45-70(63-37-17-16-36-62(63)69)67-54(48-24-8-3-9-25-48)33-21-34-55(67)49-26-10-4-11-27-49;/h2-41,43H,1H3;/q-2;.

What are the key properties of 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1116.19 g/mol, XLogP of 16.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-3-(2-methyl-3,5-diphenylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170539559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).