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

C76H64N4OPtSi-2 — CID 171427238

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

[2-[5-[2,6-bis(trideuteriomethyl)phenyl]-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-tert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171427238) has the molecular formula C76H64N4OPtSi-2 and a molecular weight of 1293.67 g/mol. Its IUPAC name is [2-[5-[2,6-bis(trideuteriomethyl)phenyl]-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-tert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

• Compound Name: [2-[5-[2,6-bis(trideuteriomethyl)phenyl]-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-tert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 171427238
• Molecular Formula: C76H64N4OPtSi-2
• Molecular Weight: 1293.67 g/mol
• Exact Mass: 1292.58
• IUPAC Name: [2-[5-[2,6-bis(trideuteriomethyl)phenyl]-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-tert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• SMILES: [2H]c1c([2H])c([2H])c([Si](c2cccc(-c3cccc(C(C)(C)C)c3)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cc(-c4c(C([2H])([2H])[2H])cccc4C([2H])([2H])[2H])ccc32)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C76H64N4OSi.Pt/c1-52-24-20-25-53(2)73(52)55-40-43-68-70(47-55)78(58-28-22-29-59(49-58)81-60-41-42-66-65-36-18-19-38-67(65)80(69(66)50-60)72-48-57(44-45-77-72)76(6,7)8)51-79(68)74-64(54-26-21-27-56(46-54)75(3,4)5)37-23-39-71(74)82(61-30-12-9-13-31-61,62-32-14-10-15-33-62)63-34-16-11-17-35-63;/h9-48H,1-8H3;/q-2;/i1D3,2D3,9D,10D,11D,12D,13D,14D,15D,16D,17D,30D,31D,32D,33D,34D,35D
• InChIKey: XMMVPWSFEODCOX-WQIAXUTBSA-N
• XLogP: 15.51
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1293.67
LogP ≤ 5	15.51
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 [2-[5-[2,6-bis(trideuteriomethyl)phenyl]-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-tert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The IUPAC name of [2-[5-[2,6-bis(trideuteriomethyl)phenyl]-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-tert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171427238) is [2-[5-[2,6-bis(trideuteriomethyl)phenyl]-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-tert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

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

The canonical SMILES for [2-[5-[2,6-bis(trideuteriomethyl)phenyl]-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-tert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is [2H]c1c([2H])c([2H])c([Si](c2cccc(-c3cccc(C(C)(C)C)c3)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cc(-c4c(C([2H])([2H])[2H])cccc4C([2H])([2H])[2H])ccc32)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[Pt].

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

The InChIKey is XMMVPWSFEODCOX-WQIAXUTBSA-N. The full InChI is InChI=1S/C76H64N4OSi.Pt/c1-52-24-20-25-53(2)73(52)55-40-43-68-70(47-55)78(58-28-22-29-59(49-58)81-60-41-42-66-65-36-18-19-38-67(65)80(69(66)50-60)72-48-57(44-45-77-72)76(6,7)8)51-79(68)74-64(54-26-21-27-56(46-54)75(3,4)5)37-23-39-71(74)82(61-30-12-9-13-31-61,62-32-14-10-15-33-62)63-34-16-11-17-35-63;/h9-48H,1-8H3;/q-2;/i1D3,2D3,9D,10D,11D,12D,13D,14D,15D,16D,17D,30D,31D,32D,33D,34D,35D;.

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

[2-[5-[2,6-bis(trideuteriomethyl)phenyl]-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-tert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1293.67 g/mol, XLogP of 15.51, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-[2,6-bis(trideuteriomethyl)phenyl]-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-tert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171427238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).