[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

C88H65N5O3PtSi2-2 — CID 171057366

About [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171057366) has the molecular formula C88H65N5O3PtSi2-2 and a molecular weight of 1521.95 g/mol. Its IUPAC name is [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

• Compound Name: [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 171057366
• Molecular Formula: C88H65N5O3PtSi2-2
• Molecular Weight: 1521.95 g/mol
• Exact Mass: 1520.62
• IUPAC Name: [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• SMILES: [2H]c1c([2H])c([2H])c([Si](Oc2cccc(O[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-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C88H65N5O3Si2.Pt/c1-88(2,3)63-56-57-89-86(58-63)93-80-55-52-65(92-78-46-24-22-44-74(78)75-45-23-25-47-79(75)92)60-77(80)76-54-53-67(61-83(76)93)94-66-31-28-30-64(59-66)90-62-91(82-49-27-26-48-81(82)90)87-84(95-97(68-32-10-4-11-33-68,69-34-12-5-13-35-69)70-36-14-6-15-37-70)50-29-51-85(87)96-98(71-38-16-7-17-39-71,72-40-18-8-19-41-72)73-42-20-9-21-43-73;/h4-58,60H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D
• InChIKey: ZFQULTZQTOUJKJ-GEJYOWJDSA-N
• XLogP: 16.08
• TPSA: 59.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1521.95
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The IUPAC name of [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171057366) is [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

What is the SMILES notation for [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The canonical SMILES for [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is [2H]c1c([2H])c([2H])c([Si](Oc2cccc(O[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-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[Pt].

What is the InChIKey of [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The InChIKey is ZFQULTZQTOUJKJ-GEJYOWJDSA-N. The full InChI is InChI=1S/C88H65N5O3Si2.Pt/c1-88(2,3)63-56-57-89-86(58-63)93-80-55-52-65(92-78-46-24-22-44-74(78)75-45-23-25-47-79(75)92)60-77(80)76-54-53-67(61-83(76)93)94-66-31-28-30-64(59-66)90-62-91(82-49-27-26-48-81(82)90)87-84(95-97(68-32-10-4-11-33-68,69-34-12-5-13-35-69)70-36-14-6-15-37-70)50-29-51-85(87)96-98(71-38-16-7-17-39-71,72-40-18-8-19-41-72)73-42-20-9-21-43-73;/h4-58,60H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D,43D;.

What are the key properties of [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1521.95 g/mol, XLogP of 16.08, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-3-tris(2,3,4,5,6-pentadeuteriophenyl)silyloxyphenoxy]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171057366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).