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

C91H64N4OPtSi2-2 — CID 171428191

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

platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[5-(2,3,4,5,6-pentadeuteriophenyl)-2-[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-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]silane (PubChem CID 171428191) has the molecular formula C91H64N4OPtSi2-2 and a molecular weight of 1528.08 g/mol. Its IUPAC name is platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[5-(2,3,4,5,6-pentadeuteriophenyl)-2-[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-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]silane.

Molecular Properties

• Compound Name: platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[5-(2,3,4,5,6-pentadeuteriophenyl)-2-[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-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]silane
• PubChem CID: 171428191
• Molecular Formula: C91H64N4OPtSi2-2
• Molecular Weight: 1528.08 g/mol
• Exact Mass: 1526.72
• IUPAC Name: platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[5-(2,3,4,5,6-pentadeuteriophenyl)-2-[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-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]silane
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-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])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)c4ccccc43)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/C91H64N4OSi2.Pt/c1-66-58-90(92-64-84(66)68-34-12-3-13-35-68)95-85-53-27-26-52-81(85)82-57-56-73(63-88(82)95)96-72-38-31-37-71(62-72)93-65-94(87-55-29-28-54-86(87)93)91-83(69-36-30-51-80(59-69)97(74-39-14-4-15-40-74,75-41-16-5-17-42-75)76-43-18-6-19-44-76)60-70(67-32-10-2-11-33-67)61-89(91)98(77-45-20-7-21-46-77,78-47-22-8-23-48-78)79-49-24-9-25-50-79;/h2-61,64H,1H3;/q-2;/i1D3,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,30D,32D,33D,34D,35D,36D,39D,40D,41D,42D,43D,44D,45D,46D,47D,48D,49D,50D,51D,59D
• InChIKey: PZCGMUCSATYGMY-CZVCHWJESA-N
• XLogP: 15.65
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1528.08
LogP ≤ 5	15.65
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 platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[5-(2,3,4,5,6-pentadeuteriophenyl)-2-[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-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]silane?

The IUPAC name of platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[5-(2,3,4,5,6-pentadeuteriophenyl)-2-[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-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]silane (CID 171428191) is platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[5-(2,3,4,5,6-pentadeuteriophenyl)-2-[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-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]silane.

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

The canonical SMILES for platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[5-(2,3,4,5,6-pentadeuteriophenyl)-2-[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-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]silane is [2H]c1c([2H])c([2H])c(-c2cc(-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])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)c4ccccc43)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 platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[5-(2,3,4,5,6-pentadeuteriophenyl)-2-[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-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]silane?

The InChIKey is PZCGMUCSATYGMY-CZVCHWJESA-N. The full InChI is InChI=1S/C91H64N4OSi2.Pt/c1-66-58-90(92-64-84(66)68-34-12-3-13-35-68)95-85-53-27-26-52-81(85)82-57-56-73(63-88(82)95)96-72-38-31-37-71(62-72)93-65-94(87-55-29-28-54-86(87)93)91-83(69-36-30-51-80(59-69)97(74-39-14-4-15-40-74,75-41-16-5-17-42-75)76-43-18-6-19-44-76)60-70(67-32-10-2-11-33-67)61-89(91)98(77-45-20-7-21-46-77,78-47-22-8-23-48-78)79-49-24-9-25-50-79;/h2-61,64H,1H3;/q-2;/i1D3,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,30D,32D,33D,34D,35D,36D,39D,40D,41D,42D,43D,44D,45D,46D,47D,48D,49D,50D,51D,59D;.

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

platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[5-(2,3,4,5,6-pentadeuteriophenyl)-2-[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-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]silane has a molecular weight of 1528.08 g/mol, XLogP of 15.65, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[5-(2,3,4,5,6-pentadeuteriophenyl)-2-[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-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]silane is sourced from PubChem (CID 171428191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).