[3-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

C96H72N4OPtSi-2 — CID 171427417

About [3-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

[3-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171427417) has the molecular formula C96H72N4OPtSi-2 and a molecular weight of 1564.09 g/mol. Its IUPAC name is [3-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

• Compound Name: [3-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 171427417
• Molecular Formula: C96H72N4OPtSi-2
• Molecular Weight: 1564.09 g/mol
• Exact Mass: 1562.78
• IUPAC Name: [3-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c(-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4cc(-c5c(C([2H])([2H])[2H])cccc5C([2H])([2H])[2H])ccc43)c(-c3c([2H])c([2H])c([2H])c([Si](c4c([2H])c([2H])c([2H])c([2H])c4[2H])(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C96H72N4OSi.Pt/c1-66-29-26-30-67(2)94(66)72-49-52-90-92(61-72)98(78-38-28-39-79(63-78)101-80-50-51-86-85-47-24-25-48-89(85)100(91(86)64-80)93-62-77(53-54-97-93)96(3,4)5)65-99(90)95-87(71-37-27-46-84(58-71)102(81-40-18-9-19-41-81,82-42-20-10-21-43-82)83-44-22-11-23-45-83)59-75(70-35-16-8-17-36-70)60-88(95)76-56-73(68-31-12-6-13-32-68)55-74(57-76)69-33-14-7-15-34-69;/h6-62H,1-5H3;/q-2;/i1D3,2D3,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,27D,31D,32D,33D,34D,35D,36D,37D,40D,41D,42D,43D,44D,45D,46D,55D,56D,57D,58D
• InChIKey: YINARPNANTUJJL-DUUGAIKXSA-N
• XLogP: 20.88
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1564.09
LogP ≤ 5	20.88
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-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The IUPAC name of [3-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171427417) is [3-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

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

The canonical SMILES for [3-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is [2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c(-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4cc(-c5c(C([2H])([2H])[2H])cccc5C([2H])([2H])[2H])ccc43)c(-c3c([2H])c([2H])c([2H])c([Si](c4c([2H])c([2H])c([2H])c([2H])c4[2H])(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c2)c([2H])c1[2H].[Pt].

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

The InChIKey is YINARPNANTUJJL-DUUGAIKXSA-N. The full InChI is InChI=1S/C96H72N4OSi.Pt/c1-66-29-26-30-67(2)94(66)72-49-52-90-92(61-72)98(78-38-28-39-79(63-78)101-80-50-51-86-85-47-24-25-48-89(85)100(91(86)64-80)93-62-77(53-54-97-93)96(3,4)5)65-99(90)95-87(71-37-27-46-84(58-71)102(81-40-18-9-19-41-81,82-42-20-10-21-43-82)83-44-22-11-23-45-83)59-75(70-35-16-8-17-36-70)60-88(95)76-56-73(68-31-12-6-13-32-68)55-74(57-76)69-33-14-7-15-34-69;/h6-62H,1-5H3;/q-2;/i1D3,2D3,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,27D,31D,32D,33D,34D,35D,36D,37D,40D,41D,42D,43D,44D,45D,46D,55D,56D,57D,58D;.

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

[3-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1564.09 g/mol, XLogP of 20.88, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171427417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).