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

C83H62N4OPtSi-2 — CID 171427648

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

[3-(3-tert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[5-(2,3,4,5,6-pentadeuteriophenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171427648) has the molecular formula C83H62N4OPtSi-2 and a molecular weight of 1387.80 g/mol. Its IUPAC name is [3-(3-tert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[5-(2,3,4,5,6-pentadeuteriophenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

• Compound Name: [3-(3-tert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[5-(2,3,4,5,6-pentadeuteriophenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 171427648
• Molecular Formula: C83H62N4OPtSi-2
• Molecular Weight: 1387.80 g/mol
• Exact Mass: 1386.64
• IUPAC Name: [3-(3-tert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[5-(2,3,4,5,6-pentadeuteriophenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-c3cccc(C(C)(C)C)c3)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([2H])c([2H])c([2H])c([2H])c5[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/C83H62N4OSi.Pt/c1-58-49-81(84-56-75(58)61-31-15-7-16-32-61)87-76-44-24-23-43-72(76)73-47-46-68(55-78(73)87)88-67-36-26-35-66(54-67)85-57-86(77-48-45-62(52-79(77)85)59-27-11-5-12-28-59)82-74(63-33-25-34-65(50-63)83(2,3)4)51-64(60-29-13-6-14-30-60)53-80(82)89(69-37-17-8-18-38-69,70-39-19-9-20-40-70)71-41-21-10-22-42-71;/h5-53,56H,1-4H3;/q-2;/i1D3,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,27D,28D,29D,30D,31D,32D,37D,38D,39D,40D,41D,42D
• InChIKey: NEEHWBAAIRBLJS-RLBNDZRQSA-N
• XLogP: 17.24
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1387.80
LogP ≤ 5	17.24
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-(3-tert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[5-(2,3,4,5,6-pentadeuteriophenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The IUPAC name of [3-(3-tert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[5-(2,3,4,5,6-pentadeuteriophenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171427648) is [3-(3-tert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[5-(2,3,4,5,6-pentadeuteriophenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

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

The canonical SMILES for [3-(3-tert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[5-(2,3,4,5,6-pentadeuteriophenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is [2H]c1c([2H])c([2H])c(-c2cc(-c3cccc(C(C)(C)C)c3)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([2H])c([2H])c([2H])c([2H])c5[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 [3-(3-tert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[5-(2,3,4,5,6-pentadeuteriophenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The InChIKey is NEEHWBAAIRBLJS-RLBNDZRQSA-N. The full InChI is InChI=1S/C83H62N4OSi.Pt/c1-58-49-81(84-56-75(58)61-31-15-7-16-32-61)87-76-44-24-23-43-72(76)73-47-46-68(55-78(73)87)88-67-36-26-35-66(54-67)85-57-86(77-48-45-62(52-79(77)85)59-27-11-5-12-28-59)82-74(63-33-25-34-65(50-63)83(2,3)4)51-64(60-29-13-6-14-30-60)53-80(82)89(69-37-17-8-18-38-69,70-39-19-9-20-40-70)71-41-21-10-22-42-71;/h5-53,56H,1-4H3;/q-2;/i1D3,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,27D,28D,29D,30D,31D,32D,37D,38D,39D,40D,41D,42D;.

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

[3-(3-tert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[5-(2,3,4,5,6-pentadeuteriophenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1387.80 g/mol, XLogP of 17.24, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-tert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[5-(2,3,4,5,6-pentadeuteriophenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171427648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).