[3-[2-[5-[2,6-bis(trideuteriomethyl)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-1-yl]-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

C93H66N4OPtSi-2 — CID 171426781

About [3-[2-[5-[2,6-bis(trideuteriomethyl)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-1-yl]-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-[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-[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 171426781) has the molecular formula C93H66N4OPtSi-2 and a molecular weight of 1525.02 g/mol. Its IUPAC name is [3-[2-[5-[2,6-bis(trideuteriomethyl)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-1-yl]-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-[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-[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: 171426781
• Molecular Formula: C93H66N4OPtSi-2
• Molecular Weight: 1525.02 g/mol
• Exact Mass: 1523.76
• IUPAC Name: [3-[2-[5-[2,6-bis(trideuteriomethyl)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-1-yl]-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(-c2cnc(-n3c4[c-]c(Oc5[c-]c(-n6[c-][n+](-c7c(-c8c([2H])c(-c9c([2H])c([2H])c([2H])c([2H])c9[2H])c([2H])c(-c9c([2H])c([2H])c([2H])c([2H])c9[2H])c8[2H])cccc7-c7c([2H])c([2H])c([2H])c([Si](c8c([2H])c([2H])c([2H])c([2H])c8[2H])(c8c([2H])c([2H])c([2H])c([2H])c8[2H])c8c([2H])c([2H])c([2H])c([2H])c8[2H])c7[2H])c7ccc(-c8c(C([2H])([2H])[2H])cccc8C([2H])([2H])[2H])cc76)ccc5)ccc4c4ccccc43)cc2C([2H])([2H])[2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C93H66N4OSi.Pt/c1-64-28-24-29-65(2)92(64)71-50-53-88-90(59-71)95(75-37-26-38-76(60-75)98-77-51-52-85-84-46-22-23-49-87(84)97(89(85)61-77)91-54-66(3)86(62-94-91)69-34-14-6-15-35-69)63-96(88)93-82(47-27-48-83(93)74-56-72(67-30-10-4-11-31-67)55-73(57-74)68-32-12-5-13-33-68)70-36-25-45-81(58-70)99(78-39-16-7-17-40-78,79-41-18-8-19-42-79)80-43-20-9-21-44-80;/h4-59,62H,1-3H3;/q-2;/i1D3,2D3,3D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,25D,30D,31D,32D,33D,34D,35D,36D,39D,40D,41D,42D,43D,44D,45D,55D,56D,57D,58D
• InChIKey: GOLHUPLJOIRAGG-NWQICKLUSA-N
• XLogP: 19.89
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1525.02
LogP ≤ 5	19.89
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-[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-[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-[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-[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 171426781) is [3-[2-[5-[2,6-bis(trideuteriomethyl)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-1-yl]-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-[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-[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-[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-[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(-c2cnc(-n3c4[c-]c(Oc5[c-]c(-n6[c-][n+](-c7c(-c8c([2H])c(-c9c([2H])c([2H])c([2H])c([2H])c9[2H])c([2H])c(-c9c([2H])c([2H])c([2H])c([2H])c9[2H])c8[2H])cccc7-c7c([2H])c([2H])c([2H])c([Si](c8c([2H])c([2H])c([2H])c([2H])c8[2H])(c8c([2H])c([2H])c([2H])c([2H])c8[2H])c8c([2H])c([2H])c([2H])c([2H])c8[2H])c7[2H])c7ccc(-c8c(C([2H])([2H])[2H])cccc8C([2H])([2H])[2H])cc76)ccc5)ccc4c4ccccc43)cc2C([2H])([2H])[2H])c([2H])c1[2H].[Pt].

What is the InChIKey of [3-[2-[5-[2,6-bis(trideuteriomethyl)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-1-yl]-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 GOLHUPLJOIRAGG-NWQICKLUSA-N. The full InChI is InChI=1S/C93H66N4OSi.Pt/c1-64-28-24-29-65(2)92(64)71-50-53-88-90(59-71)95(75-37-26-38-76(60-75)98-77-51-52-85-84-46-22-23-49-87(84)97(89(85)61-77)91-54-66(3)86(62-94-91)69-34-14-6-15-35-69)63-96(88)93-82(47-27-48-83(93)74-56-72(67-30-10-4-11-31-67)55-73(57-74)68-32-12-5-13-33-68)70-36-25-45-81(58-70)99(78-39-16-7-17-40-78,79-41-18-8-19-42-79)80-43-20-9-21-44-80;/h4-59,62H,1-3H3;/q-2;/i1D3,2D3,3D3,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,25D,30D,31D,32D,33D,34D,35D,36D,39D,40D,41D,42D,43D,44D,45D,55D,56D,57D,58D;.

What are the key properties of [3-[2-[5-[2,6-bis(trideuteriomethyl)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-1-yl]-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-[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-[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 1525.02 g/mol, XLogP of 19.89, 18 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-[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-[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 171426781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).