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

C93H66N4OPtSi-2 — CID 171428047

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

[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171428047) has the molecular formula C93H66N4OPtSi-2 and a molecular weight of 1526.03 g/mol. Its IUPAC name is [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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

• Compound Name: [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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 171428047
• Molecular Formula: C93H66N4OPtSi-2
• Molecular Weight: 1526.03 g/mol
• Exact Mass: 1524.76
• IUPAC Name: [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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-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([2H])([2H])[2H])c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cn5)ccc4)c4cc(-c5c(C([2H])([2H])[2H])cccc5C([2H])([2H])[2H])ccc43)c([Si](c3c([2H])c([2H])c([2H])c([2H])c3[2H])(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C93H66N4OSi.Pt/c1-64-29-27-30-65(2)92(64)71-49-52-87-89(58-71)95(76-39-28-40-77(60-76)98-78-50-51-83-82-47-25-26-48-86(82)97(88(83)61-78)91-53-66(3)85(62-94-91)70-37-17-7-18-38-70)63-96(87)93-84(75-55-72(67-31-11-4-12-32-67)54-73(56-75)68-33-13-5-14-34-68)57-74(69-35-15-6-16-36-69)59-90(93)99(79-41-19-8-20-42-79,80-43-21-9-22-44-80)81-45-23-10-24-46-81;/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,22D,23D,24D,31D,32D,33D,34D,35D,36D,37D,38D,41D,42D,43D,44D,45D,46D,54D,55D,56D
• InChIKey: YJVPVBVHTPCLLC-CNTNHRSHSA-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	1526.03
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 [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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The IUPAC name of [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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171428047) is [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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]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-[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The canonical SMILES for [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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-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([2H])([2H])[2H])c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cn5)ccc4)c4cc(-c5c(C([2H])([2H])[2H])cccc5C([2H])([2H])[2H])ccc43)c([Si](c3c([2H])c([2H])c([2H])c([2H])c3[2H])(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[Pt].

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

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

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

[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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1526.03 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 [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]-5-(2,3,4,5,6-pentadeuteriophenyl)-3-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171428047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).