platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane

C79H53N4OPtSi-3 — CID 171426925

About platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane

platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane (PubChem CID 171426925) has the molecular formula C79H53N4OPtSi-3 and a molecular weight of 1334.71 g/mol. Its IUPAC name is platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane.

Molecular Properties

• Compound Name: platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane
• PubChem CID: 171426925
• Molecular Formula: C79H53N4OPtSi-3
• Molecular Weight: 1334.71 g/mol
• Exact Mass: 1333.60
• IUPAC Name: platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-c3c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cccc3-c3c([2H])c([2H])c([2H])c([Si](c4c([2H])c([2H])c([2H])c([2H])c4[2H])(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c3n[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)c3c2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C79H53N4OSi.Pt/c1-55-47-77(80-53-73(55)58-29-12-4-13-30-58)83-74-44-21-20-41-70(74)71-46-45-63(52-75(71)83)84-62-33-23-32-61(51-62)82-54-81-79-72(49-60(50-76(79)82)56-25-8-2-9-26-56)78-68(57-27-10-3-11-28-57)42-24-43-69(78)59-31-22-40-67(48-59)85(64-34-14-5-15-35-64,65-36-16-6-17-37-65)66-38-18-7-19-39-66;/h2-50,53H,1H3;/q-3;/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,48D
• InChIKey: YOGYPRBZFALZJL-VESSKEBDSA-N
• XLogP: 16.73
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1334.71
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane?

The IUPAC name of platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane (CID 171426925) is platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane.

What is the SMILES notation for platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane?

The canonical SMILES for platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane is [2H]c1c([2H])c([2H])c(-c2cc(-c3c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cccc3-c3c([2H])c([2H])c([2H])c([Si](c4c([2H])c([2H])c([2H])c([2H])c4[2H])(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c3n[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)c3c2)c([2H])c1[2H].[Pt].

What is the InChIKey of platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane?

The InChIKey is YOGYPRBZFALZJL-VESSKEBDSA-N. The full InChI is InChI=1S/C79H53N4OSi.Pt/c1-55-47-77(80-53-73(55)58-29-12-4-13-30-58)83-74-44-21-20-41-70(74)71-46-45-63(52-75(71)83)84-62-33-23-32-61(51-62)82-54-81-79-72(49-60(50-76(79)82)56-25-8-2-9-26-56)78-68(57-27-10-3-11-28-57)42-24-43-69(78)59-31-22-40-67(48-59)85(64-34-14-5-15-35-64,65-36-16-6-17-37-65)66-38-18-7-19-39-66;/h2-50,53H,1H3;/q-3;/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,48D;.

What are the key properties of platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane?

platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane has a molecular weight of 1334.71 g/mol, XLogP of 16.73, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-(2,3,4,5,6-pentadeuteriophenyl)-2-[6-(2,3,4,5,6-pentadeuteriophenyl)-1-[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-2-id-4-yl]phenyl]phenyl]silane is sourced from PubChem (CID 171426925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).