[3-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

C78H68N4OPtSi-2 — CID 171427955

About [3-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

[3-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171427955) has the molecular formula C78H68N4OPtSi-2 and a molecular weight of 1319.71 g/mol. Its IUPAC name is [3-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

• Compound Name: [3-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 171427955
• Molecular Formula: C78H68N4OPtSi-2
• Molecular Weight: 1319.71 g/mol
• Exact Mass: 1318.60
• IUPAC Name: [3-[5-tert-butyl-3-(3-tert-butylphenyl)-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]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(-c3cc(C(C)(C)C)cc(-c4cccc(C(C)(C)C)c4)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)56-28-23-26-54(46-56)68-48-58(78(7,8)9)49-69(55-27-24-37-65(47-55)84(62-31-13-10-14-32-62,63-33-15-11-16-34-63)64-35-17-12-18-36-64)75(68)81-53-80(71-40-21-22-41-72(71)81)59-29-25-30-60(51-59)83-61-42-43-67-66-38-19-20-39-70(66)82(73(67)52-61)74-50-57(44-45-79-74)77(4,5)6;/h10-50H,1-9H3;/q-2;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,24D,27D,31D,32D,33D,34D,35D,36D,37D,47D
• InChIKey: GWSJELHRKUJKRS-WMSPQZPTSA-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	1319.71
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-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The IUPAC name of [3-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171427955) is [3-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

What is the SMILES notation for [3-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The canonical SMILES for [3-[5-tert-butyl-3-(3-tert-butylphenyl)-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]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(-c3cc(C(C)(C)C)cc(-c4cccc(C(C)(C)C)c4)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-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

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

What are the key properties of [3-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

[3-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1319.71 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-[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171427955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).