[3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

C95H86N4OPtSi-2 — CID 171427115

About [3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

[3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171427115) has the molecular formula C95H86N4OPtSi-2 and a molecular weight of 1550.09 g/mol. Its IUPAC name is [3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

• Compound Name: [3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 171427115
• Molecular Formula: C95H86N4OPtSi-2
• Molecular Weight: 1550.09 g/mol
• Exact Mass: 1548.79
• IUPAC Name: [3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-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)cccc7-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccc(-c8c([2H])c([2H])c([2H])c([Si](c9c([2H])c([2H])c([2H])c([2H])c9[2H])(c9c([2H])c([2H])c([2H])c([2H])c9[2H])c9c([2H])c([2H])c([2H])c([2H])c9[2H])c8[2H])cc76)ccc5)ccc4c4ccccc43)cc2C([2H])([2H])[2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C95H86N4OSi.Pt/c1-64-51-90(96-62-85(64)65-31-18-14-19-32-65)99-86-46-27-26-43-83(86)84-49-48-76(61-88(84)99)100-75-35-29-34-74(60-75)97-63-98(87-50-47-67(57-89(87)97)66-33-28-42-80(56-66)101(77-36-20-15-21-37-77,78-38-22-16-23-39-78)79-40-24-17-25-41-79)91-81(68-52-70(92(2,3)4)58-71(53-68)93(5,6)7)44-30-45-82(91)69-54-72(94(8,9)10)59-73(55-69)95(11,12)13;/h14-59,62H,1-13H3;/q-2;/i1D3,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,28D,31D,32D,33D,36D,37D,38D,39D,40D,41D,42D,56D
• InChIKey: CFVSDHKIDBWJJS-SVSUNMOPSA-N
• XLogP: 21.13
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1550.09
LogP ≤ 5	21.13
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-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The IUPAC name of [3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171427115) is [3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

What is the SMILES notation for [3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The canonical SMILES for [3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-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)cccc7-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccc(-c8c([2H])c([2H])c([2H])c([Si](c9c([2H])c([2H])c([2H])c([2H])c9[2H])(c9c([2H])c([2H])c([2H])c([2H])c9[2H])c9c([2H])c([2H])c([2H])c([2H])c9[2H])c8[2H])cc76)ccc5)ccc4c4ccccc43)cc2C([2H])([2H])[2H])c([2H])c1[2H].[Pt].

What is the InChIKey of [3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The InChIKey is CFVSDHKIDBWJJS-SVSUNMOPSA-N. The full InChI is InChI=1S/C95H86N4OSi.Pt/c1-64-51-90(96-62-85(64)65-31-18-14-19-32-65)99-86-46-27-26-43-83(86)84-49-48-76(61-88(84)99)100-75-35-29-34-74(60-75)97-63-98(87-50-47-67(57-89(87)97)66-33-28-42-80(56-66)101(77-36-20-15-21-37-77,78-38-22-16-23-39-78)79-40-24-17-25-41-79)91-81(68-52-70(92(2,3)4)58-71(53-68)93(5,6)7)44-30-45-82(91)69-54-72(94(8,9)10)59-73(55-69)95(11,12)13;/h14-59,62H,1-13H3;/q-2;/i1D3,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,28D,31D,32D,33D,36D,37D,38D,39D,40D,41D,42D,56D;.

What are the key properties of [3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

[3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1550.09 g/mol, XLogP of 21.13, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-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-5-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171427115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).