platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane

C81H64N4OPtSi-2 — CID 171608827

About platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane

platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane (PubChem CID 171608827) has the molecular formula C81H64N4OPtSi-2 and a molecular weight of 1377.87 g/mol. Its IUPAC name is platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane.

Molecular Properties

• Compound Name: platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane
• PubChem CID: 171608827
• Molecular Formula: C81H64N4OPtSi-2
• Molecular Weight: 1377.87 g/mol
• Exact Mass: 1376.73
• IUPAC Name: platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane
• SMILES: [2H]c1c(-c2cccc(-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])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C([2H])([2H])[2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])cn4)ccc3)c3ccccc32)cc2c(c1[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C2(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt]
• InChI: InChI=1S/C81H64N4OSi.Pt/c1-56-49-78(82-54-71(56)57-25-10-6-11-26-57)85-74-40-19-18-37-69(74)70-45-44-62(53-77(70)85)86-61-29-23-28-60(52-61)83-55-84(76-42-21-20-41-75(76)83)79-67(38-24-39-68(79)59-43-46-72-73(51-59)81(4,5)48-47-80(72,2)3)58-27-22-36-66(50-58)87(63-30-12-7-13-31-63,64-32-14-8-15-33-64)65-34-16-9-17-35-65;/h6-46,49-51,54H,47-48H2,1-5H3;/q-2;/i1D3,2D3,3D3,4D3,5D3,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,22D,25D,26D,27D,30D,31D,32D,33D,34D,35D,36D,43D,46D,47D2,48D2,50D
• InChIKey: ZUMHOYZPOPSGBL-PDFIBBNBSA-N
• XLogP: 16.63
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1377.87
LogP ≤ 5	16.63
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)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane?

The IUPAC name of platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane (CID 171608827) is platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane.

What is the SMILES notation for platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane?

The canonical SMILES for platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane is [2H]c1c(-c2cccc(-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])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C([2H])([2H])[2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])cn4)ccc3)c3ccccc32)cc2c(c1[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C2(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt].

What is the InChIKey of platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane?

The InChIKey is ZUMHOYZPOPSGBL-PDFIBBNBSA-N. The full InChI is InChI=1S/C81H64N4OSi.Pt/c1-56-49-78(82-54-71(56)57-25-10-6-11-26-57)85-74-40-19-18-37-69(74)70-45-44-62(53-77(70)85)86-61-29-23-28-60(52-61)83-55-84(76-42-21-20-41-75(76)83)79-67(38-24-39-68(79)59-43-46-72-73(51-59)81(4,5)48-47-80(72,2)3)58-27-22-36-66(50-58)87(63-30-12-7-13-31-63,64-32-14-8-15-33-64)65-34-16-9-17-35-65;/h6-46,49-51,54H,47-48H2,1-5H3;/q-2;/i1D3,2D3,3D3,4D3,5D3,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,22D,25D,26D,27D,30D,31D,32D,33D,34D,35D,36D,43D,46D,47D2,48D2,50D;.

What are the key properties of platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane?

platinum;tris(2,3,4,5,6-pentadeuteriophenyl)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane has a molecular weight of 1377.87 g/mol, XLogP of 16.63, 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)-[2,3,4,6-tetradeuterio-5-[3-[3,4,6,6,7,7-hexadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]-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]phenyl]phenyl]silane is sourced from PubChem (CID 171608827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).