[3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)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

C79H54N4OPtSi-2 — CID 171426696

About [3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)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(2,3,4,5,6-pentadeuteriophenyl)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 171426696) has the molecular formula C79H54N4OPtSi-2 and a molecular weight of 1335.72 g/mol. Its IUPAC name is [3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)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(2,3,4,5,6-pentadeuteriophenyl)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: 171426696
• Molecular Formula: C79H54N4OPtSi-2
• Molecular Weight: 1335.72 g/mol
• Exact Mass: 1334.60
• IUPAC Name: [3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)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(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])cccc7-c7c([2H])c([2H])c([2H])c([2H])c7[2H])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/C79H54N4OSi.Pt/c1-56-49-78(80-54-73(56)59-29-12-4-13-30-59)83-74-44-21-20-41-71(74)72-47-46-64(53-76(72)83)84-63-33-23-32-62(52-63)81-55-82(79-69(57-25-8-2-9-26-57)42-24-43-70(79)58-27-10-3-11-28-58)75-48-45-61(51-77(75)81)60-31-22-40-68(50-60)85(65-34-14-5-15-35-65,66-36-16-6-17-37-66)67-38-18-7-19-39-67;/h2-51,54H,1H3;/q-2;/i1D3,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,22D,25D,26D,27D,28D,29D,30D,31D,34D,35D,36D,37D,38D,39D,40D,50D
• InChIKey: WULPUOOLEJYYOB-GHNDRDDBSA-N
• XLogP: 15.94
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1335.72
LogP ≤ 5	15.94
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(2,3,4,5,6-pentadeuteriophenyl)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(2,3,4,5,6-pentadeuteriophenyl)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 171426696) is [3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)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(2,3,4,5,6-pentadeuteriophenyl)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(2,3,4,5,6-pentadeuteriophenyl)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(-c8c([2H])c([2H])c([2H])c([2H])c8[2H])cccc7-c7c([2H])c([2H])c([2H])c([2H])c7[2H])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(2,3,4,5,6-pentadeuteriophenyl)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 WULPUOOLEJYYOB-GHNDRDDBSA-N. The full InChI is InChI=1S/C79H54N4OSi.Pt/c1-56-49-78(80-54-73(56)59-29-12-4-13-30-59)83-74-44-21-20-41-71(74)72-47-46-64(53-76(72)83)84-63-33-23-32-62(52-63)81-55-82(79-69(57-25-8-2-9-26-57)42-24-43-70(79)58-27-10-3-11-28-58)75-48-45-61(51-77(75)81)60-31-22-40-68(50-60)85(65-34-14-5-15-35-65,66-36-16-6-17-37-66)67-38-18-7-19-39-67;/h2-51,54H,1H3;/q-2;/i1D3,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,22D,25D,26D,27D,28D,29D,30D,31D,34D,35D,36D,37D,38D,39D,40D,50D;.

What are the key properties of [3-[1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)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(2,3,4,5,6-pentadeuteriophenyl)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 1335.72 g/mol, XLogP of 15.94, 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(2,3,4,5,6-pentadeuteriophenyl)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 171426696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).