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

C78H68N4OPtSi-2 — CID 171426749

About [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)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-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171426749) has the molecular formula C78H68N4OPtSi-2 and a molecular weight of 1320.72 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-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)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-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 171426749
• Molecular Formula: C78H68N4OPtSi-2
• Molecular Weight: 1320.72 g/mol
• Exact Mass: 1319.61
• IUPAC Name: [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)n(-c2[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc2)[c-][n+]3-c2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2[Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(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/C78H68N4OSi.Pt/c1-76(2,3)57-44-45-79-74(50-57)82-69-38-23-22-36-67(69)68-42-41-62(52-71(68)82)83-61-29-24-28-60(51-61)80-53-81(70-43-40-55(48-72(70)80)54-26-14-10-15-27-54)75-66(56-46-58(77(4,5)6)49-59(47-56)78(7,8)9)37-25-39-73(75)84(63-30-16-11-17-31-63,64-32-18-12-19-33-64)65-34-20-13-21-35-65;/h10-50H,1-9H3;/q-2;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,26D,27D,30D,31D,32D,33D,34D,35D
• InChIKey: TVZRLTNEACODHI-DRJSCUBBSA-N
• XLogP: 16.19
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1320.72
LogP ≤ 5	16.19
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-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)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-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171426749) is [2-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)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-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)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-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)n(-c2[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc2)[c-][n+]3-c2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2[Si](c2c([2H])c([2H])c([2H])c([2H])c2[2H])(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-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The InChIKey is TVZRLTNEACODHI-DRJSCUBBSA-N. The full InChI is InChI=1S/C78H68N4OSi.Pt/c1-76(2,3)57-44-45-79-74(50-57)82-69-38-23-22-36-67(69)68-42-41-62(52-71(68)82)83-61-29-24-28-60(51-61)80-53-81(70-43-40-55(48-72(70)80)54-26-14-10-15-27-54)75-66(56-46-58(77(4,5)6)49-59(47-56)78(7,8)9)37-25-39-73(75)84(63-30-16-11-17-31-63,64-32-18-12-19-33-64)65-34-20-13-21-35-65;/h10-50H,1-9H3;/q-2;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,26D,27D,30D,31D,32D,33D,34D,35D;.

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-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)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-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum has a molecular weight of 1320.72 g/mol, XLogP of 16.19, 11 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-(2,3,4,5,6-pentadeuteriophenyl)-2H-benzimidazol-1-ium-2-id-1-yl]-3-(3,5-ditert-butylphenyl)phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171426749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).