2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C69H57N4OPt-3 — CID 168780221

About 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 168780221) has the molecular formula C69H57N4OPt-3 and a molecular weight of 1156.34 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 168780221
• Molecular Formula: C69H57N4OPt-3
• Molecular Weight: 1156.34 g/mol
• Exact Mass: 1155.44
• IUPAC Name: 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)cc(C(C)(C)C)c4)ccc3c3cc(-c4ccc(C(C)(C)C)cc4)ccc32)ncc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C69H57N4O.Pt/c1-46-38-66(70-44-61(46)50-24-15-10-16-25-50)73-62-37-32-51(47-30-33-52(34-31-47)68(2,3)4)39-60(62)59-36-35-55(43-65(59)73)74-56-41-53(69(5,6)7)40-54(42-56)71-45-72(64-29-18-17-28-63(64)71)67-57(48-20-11-8-12-21-48)26-19-27-58(67)49-22-13-9-14-23-49;/h8-41,44-45H,1-7H3;/q-3;/i1D3
• InChIKey: NALBWJRCPWNUBX-NIIDSAIPSA-N
• XLogP: 18.55
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1156.34
LogP ≤ 5	18.55
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-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 168780221) is 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)cc(C(C)(C)C)c4)ccc3c3cc(-c4ccc(C(C)(C)C)cc4)ccc32)ncc1-c1ccccc1.[Pt].

What is the InChIKey of 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is NALBWJRCPWNUBX-NIIDSAIPSA-N. The full InChI is InChI=1S/C69H57N4O.Pt/c1-46-38-66(70-44-61(46)50-24-15-10-16-25-50)73-62-37-32-51(47-30-33-52(34-31-47)68(2,3)4)39-60(62)59-36-35-55(43-65(59)73)74-56-41-53(69(5,6)7)40-54(42-56)71-45-72(64-29-18-17-28-63(64)71)67-57(48-20-11-8-12-21-48)26-19-27-58(67)49-22-13-9-14-23-49;/h8-41,44-45H,1-7H3;/q-3;/i1D3;.

What are the key properties of 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1156.34 g/mol, XLogP of 18.55, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-6-(4-tert-butylphenyl)-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168780221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).