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

C96H82N4OPtSi2-2 — CID 171426660

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

[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171426660) has the molecular formula C96H82N4OPtSi2-2 and a molecular weight of 1593.20 g/mol. Its IUPAC name is [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

• Compound Name: [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 171426660
• Molecular Formula: C96H82N4OPtSi2-2
• Molecular Weight: 1593.20 g/mol
• Exact Mass: 1591.78
• IUPAC Name: [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• SMILES: [2H]c1c([2H])c([2H])c([Si](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(C)(C)C)ccn4)ccc3)c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc32)(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/C96H82N4OSi2.Pt/c1-94(2,3)71-57-58-97-92(64-71)100-87-51-29-28-49-85(87)86-55-54-76(66-89(86)100)101-75-35-31-34-74(65-75)98-67-99(88-56-53-68(62-90(88)98)70-59-72(95(4,5)6)63-73(60-70)96(7,8)9)93-84(50-32-52-91(93)103(80-42-22-13-23-43-80,81-44-24-14-25-45-81)82-46-26-15-27-47-82)69-33-30-48-83(61-69)102(77-36-16-10-17-37-77,78-38-18-11-19-39-78)79-40-20-12-21-41-79;/h10-64H,1-9H3;/q-2;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,30D,33D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D,46D,47D,48D,61D
• InChIKey: WRCUHFYGLIQWSP-ZJNZXTTCSA-N
• XLogP: 17.57
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1593.20
LogP ≤ 5	17.57
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 [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The IUPAC name of [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171426660) is [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

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

The canonical SMILES for [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is [2H]c1c([2H])c([2H])c([Si](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(C)(C)C)ccn4)ccc3)c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc32)(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)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The InChIKey is WRCUHFYGLIQWSP-ZJNZXTTCSA-N. The full InChI is InChI=1S/C96H82N4OSi2.Pt/c1-94(2,3)71-57-58-97-92(64-71)100-87-51-29-28-49-85(87)86-55-54-76(66-89(86)100)101-75-35-31-34-74(65-75)98-67-99(88-56-53-68(62-90(88)98)70-59-72(95(4,5)6)63-73(60-70)96(7,8)9)93-84(50-32-52-91(93)103(80-42-22-13-23-43-80,81-44-24-14-25-45-81)82-46-26-15-27-47-82)69-33-30-48-83(61-69)102(77-36-16-10-17-37-77,78-38-18-11-19-39-78)79-40-20-12-21-41-79;/h10-64H,1-9H3;/q-2;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,30D,33D,36D,37D,38D,39D,40D,41D,42D,43D,44D,45D,46D,47D,48D,61D;.

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

[2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1593.20 g/mol, XLogP of 17.57, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-[2,3,4,6-tetradeuterio-5-tris(2,3,4,5,6-pentadeuteriophenyl)silylphenyl]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171426660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).