[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

C78H68N4OPtSi-2 — CID 171428513

About [5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum

[5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (PubChem CID 171428513) has the molecular formula C78H68N4OPtSi-2 and a molecular weight of 1320.72 g/mol. Its IUPAC name is [5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

Molecular Properties

• Compound Name: [5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum
• PubChem CID: 171428513
• Molecular Formula: C78H68N4OPtSi-2
• Molecular Weight: 1320.72 g/mol
• Exact Mass: 1319.61
• IUPAC Name: [5-tert-butyl-3-(3-tert-butylphenyl)-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]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(-c3cccc(C(C)(C)C)c3)cc(C(C)(C)C)cc2[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)57-29-24-28-56(46-57)68-48-59(78(7,8)9)49-73(84(63-32-16-11-17-33-63,64-34-18-12-19-35-64)65-36-20-13-21-37-65)75(68)81-53-80(72-47-55(40-43-70(72)81)54-26-14-10-15-27-54)60-30-25-31-61(51-60)83-62-41-42-67-66-38-22-23-39-69(66)82(71(67)52-62)74-50-58(44-45-79-74)77(4,5)6;/h10-50H,1-9H3;/q-2;/i10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,26D,27D,32D,33D,34D,35D,36D,37D
• InChIKey: ZVCAQBSUFPVXOT-BCWMQSPUSA-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 [5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

The IUPAC name of [5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum (CID 171428513) is [5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum.

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

The canonical SMILES for [5-tert-butyl-3-(3-tert-butylphenyl)-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]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(-c3cccc(C(C)(C)C)c3)cc(C(C)(C)C)cc2[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 [5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum?

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

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

[5-tert-butyl-3-(3-tert-butylphenyl)-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]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 [5-tert-butyl-3-(3-tert-butylphenyl)-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]phenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane;platinum is sourced from PubChem (CID 171428513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).