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

C66H42N4OPt-2 — CID 170539575

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

3-(3,5-diphenylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 170539575) has the molecular formula C66H42N4OPt-2 and a molecular weight of 1102.17 g/mol. Its IUPAC name is 3-(3,5-diphenylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 3-(3,5-diphenylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 170539575
• Molecular Formula: C66H42N4OPt-2
• Molecular Weight: 1102.17 g/mol
• Exact Mass: 1101.30
• IUPAC Name: 3-(3,5-diphenylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: [Pt].[c-]1c(Oc2[c-]c3c(cc2-c2cc(-c4ccccc4)cc(-c4ccccc4)c2)c2ccccc2n3-c2ccccn2)cccc1-n1[c-][n+](-c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21
• InChI: InChI=1S/C66H42N4O.Pt/c1-5-21-46(22-6-1)50-39-51(47-23-7-2-8-24-47)41-52(40-50)58-43-59-57-31-13-14-34-60(57)70(65-37-17-18-38-67-65)63(59)44-64(58)71-54-30-19-29-53(42-54)68-45-69(62-36-16-15-35-61(62)68)66-55(48-25-9-3-10-26-48)32-20-33-56(66)49-27-11-4-12-28-49;/h1-41,43H;/q-2
• InChIKey: WFASUUXUWQFODG-UHFFFAOYSA-N
• XLogP: 15.92
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1102.17
LogP ≤ 5	15.92
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 3-(3,5-diphenylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 3-(3,5-diphenylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 170539575) is 3-(3,5-diphenylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 3-(3,5-diphenylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [Pt].[c-]1c(Oc2[c-]c3c(cc2-c2cc(-c4ccccc4)cc(-c4ccccc4)c2)c2ccccc2n3-c2ccccn2)cccc1-n1[c-][n+](-c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21.

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

The InChIKey is WFASUUXUWQFODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4O.Pt/c1-5-21-46(22-6-1)50-39-51(47-23-7-2-8-24-47)41-52(40-50)58-43-59-57-31-13-14-34-60(57)70(65-37-17-18-38-67-65)63(59)44-64(58)71-54-30-19-29-53(42-54)68-45-69(62-36-16-15-35-61(62)68)66-55(48-25-9-3-10-26-48)32-20-33-56(66)49-27-11-4-12-28-49;/h1-41,43H;/q-2;.

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

3-(3,5-diphenylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1102.17 g/mol, XLogP of 15.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-diphenylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170539575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).