[5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

C89H82N4OPtSi-2 — CID 171427858

About [5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

[5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171427858) has the molecular formula C89H82N4OPtSi-2 and a molecular weight of 1469.97 g/mol. Its IUPAC name is [5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

• Compound Name: [5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 171427858
• Molecular Formula: C89H82N4OPtSi-2
• Molecular Weight: 1469.97 g/mol
• Exact Mass: 1468.74
• IUPAC Name: [5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(-n6[c-][n+](-c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cc(C(C)(C)C)cc7[Si](c7c([2H])c([2H])c([2H])c([2H])c7[2H])(c7c([2H])c([2H])c([2H])c([2H])c7[2H])c7c([2H])c([2H])c([2H])c([2H])c7[2H])c7ccc(-c8ccc(C(C)(C)C)cc8)cc76)ccc5)ccc4c4ccccc43)cc2C([2H])([2H])[2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C89H82N4OSi.Pt/c1-60-49-84(90-58-78(60)62-29-18-14-19-30-62)93-79-40-27-26-39-75(79)76-47-46-71(57-81(76)93)94-70-32-28-31-69(56-70)91-59-92(80-48-43-63(52-82(80)91)61-41-44-65(45-42-61)86(2,3)4)85-77(64-50-66(87(5,6)7)53-67(51-64)88(8,9)10)54-68(89(11,12)13)55-83(85)95(72-33-20-15-21-34-72,73-35-22-16-23-36-73)74-37-24-17-25-38-74;/h14-55,58H,1-13H3;/q-2;/i1D3,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,29D,30D,33D,34D,35D,36D,37D,38D
• InChIKey: VSCJTEFVVJUVOF-ZQBDHUOYSA-N
• XLogP: 19.47
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1469.97
LogP ≤ 5	19.47
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 [5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The IUPAC name of [5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171427858) is [5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

What is the SMILES notation for [5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The canonical SMILES for [5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(-n6[c-][n+](-c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cc(C(C)(C)C)cc7[Si](c7c([2H])c([2H])c([2H])c([2H])c7[2H])(c7c([2H])c([2H])c([2H])c([2H])c7[2H])c7c([2H])c([2H])c([2H])c([2H])c7[2H])c7ccc(-c8ccc(C(C)(C)C)cc8)cc76)ccc5)ccc4c4ccccc43)cc2C([2H])([2H])[2H])c([2H])c1[2H].[Pt].

What is the InChIKey of [5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The InChIKey is VSCJTEFVVJUVOF-ZQBDHUOYSA-N. The full InChI is InChI=1S/C89H82N4OSi.Pt/c1-60-49-84(90-58-78(60)62-29-18-14-19-30-62)93-79-40-27-26-39-75(79)76-47-46-71(57-81(76)93)94-70-32-28-31-69(56-70)91-59-92(80-48-43-63(52-82(80)91)61-41-44-65(45-42-61)86(2,3)4)85-77(64-50-66(87(5,6)7)53-67(51-64)88(8,9)10)54-68(89(11,12)13)55-83(85)95(72-33-20-15-21-34-72,73-35-22-16-23-36-73)74-37-24-17-25-38-74;/h14-55,58H,1-13H3;/q-2;/i1D3,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,29D,30D,33D,34D,35D,36D,37D,38D;.

What are the key properties of [5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

[5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1469.97 g/mol, XLogP of 19.47, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-tert-butyl-2-[5-(4-tert-butylphenyl)-3-[3-[[9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-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-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171427858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).