[3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

C78H68N4OPtSi-2 — CID 169019276

About [3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

[3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 169019276) has the molecular formula C78H68N4OPtSi-2 and a molecular weight of 1322.73 g/mol. Its IUPAC name is [3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

• Compound Name: [3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 169019276
• Molecular Formula: C78H68N4OPtSi-2
• Molecular Weight: 1322.73 g/mol
• Exact Mass: 1321.62
• IUPAC Name: [3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• SMILES: [2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3cccc(-c4c([2H])c(C(C)(C)C)c([2H])c(C(C)(C)C)c4[2H])c3-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c2[2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C78H68N4OSi.Pt/c1-76(2,3)56-44-45-79-74(50-56)82-70-39-20-19-36-68(70)69-43-42-61(52-73(69)82)83-60-28-24-27-59(51-60)80-53-81(72-41-22-21-40-71(72)80)75-66(37-25-38-67(75)55-46-57(77(4,5)6)49-58(47-55)78(7,8)9)54-26-23-35-65(48-54)84(62-29-13-10-14-30-62,63-31-15-11-16-32-63)64-33-17-12-18-34-64;/h10-50H,1-9H3;/q-2;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,23D,26D,29D,30D,31D,32D,33D,34D,35D,46D,47D,48D,49D
• InChIKey: PXVJJAUIZVUIOE-FOOKDIGLSA-N
• XLogP: 16.19
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1322.73
LogP ≤ 5	16.19
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The IUPAC name of [3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 169019276) is [3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

What is the SMILES notation for [3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The canonical SMILES for [3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is [2H]c1c([2H])c([2H])c([Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c(-c3cccc(-c4c([2H])c(C(C)(C)C)c([2H])c(C(C)(C)C)c4[2H])c3-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c2[2H])c([2H])c1[2H].[Pt].

What is the InChIKey of [3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The InChIKey is PXVJJAUIZVUIOE-FOOKDIGLSA-N. The full InChI is InChI=1S/C78H68N4OSi.Pt/c1-76(2,3)56-44-45-79-74(50-56)82-70-39-20-19-36-68(70)69-43-42-61(52-73(69)82)83-60-28-24-27-59(51-60)80-53-81(72-41-22-21-40-71(72)80)75-66(37-25-38-67(75)55-46-57(77(4,5)6)49-58(47-55)78(7,8)9)54-26-23-35-65(48-54)84(62-29-13-10-14-30-62,63-31-15-11-16-32-63)64-33-17-12-18-34-64;/h10-50H,1-9H3;/q-2;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,23D,26D,29D,30D,31D,32D,33D,34D,35D,46D,47D,48D,49D;.

What are the key properties of [3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

[3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1322.73 g/mol, XLogP of 16.19, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 169019276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).