[3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum

C88H78N4OPtSi-2 — CID 171427035

About [3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum

[3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum (PubChem CID 171427035) has the molecular formula C88H78N4OPtSi-2 and a molecular weight of 1448.89 g/mol. Its IUPAC name is [3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum.

Molecular Properties

• Compound Name: [3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum
• PubChem CID: 171427035
• Molecular Formula: C88H78N4OPtSi-2
• Molecular Weight: 1448.89 g/mol
• Exact Mass: 1447.67
• IUPAC Name: [3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum
• SMILES: [2H]c1c([2H])c2c(c([2H])c1-c1cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c1-[n+]1[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C([2H])([2H])[2H])c(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn4)ccc3)c3ccccc31)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])CC2(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt]
• InChI: InChI=1S/C88H78N4OSi.Pt/c1-59-48-83(89-56-76(59)60-28-25-37-71(51-60)94(68-31-15-12-16-32-68,69-33-17-13-18-34-69)70-35-19-14-20-36-70)92-79-41-22-21-38-74(79)75-46-45-67(55-82(75)92)93-66-30-26-29-65(54-66)90-58-91(81-43-24-23-42-80(81)90)84-72(61-44-47-77-78(52-61)88(10,11)57-87(77,8)9)39-27-40-73(84)62-49-63(85(2,3)4)53-64(50-62)86(5,6)7;/h12-53,56H,57H2,1-11H3;/q-2;/i1D3,8D3,9D3,10D3,11D3,44D,47D,52D
• InChIKey: ACUOHJPUQMAQJD-DHWJNCIDSA-N
• XLogP: 18.83
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1448.89
LogP ≤ 5	18.83
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 [3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum?

The IUPAC name of [3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum (CID 171427035) is [3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum.

What is the SMILES notation for [3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum?

The canonical SMILES for [3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum is [2H]c1c([2H])c2c(c([2H])c1-c1cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c1-[n+]1[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C([2H])([2H])[2H])c(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn4)ccc3)c3ccccc31)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])CC2(C([2H])([2H])[2H])C([2H])([2H])[2H].[Pt].

What is the InChIKey of [3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum?

The InChIKey is ACUOHJPUQMAQJD-DHWJNCIDSA-N. The full InChI is InChI=1S/C88H78N4OSi.Pt/c1-59-48-83(89-56-76(59)60-28-25-37-71(51-60)94(68-31-15-12-16-32-68,69-33-17-13-18-34-69)70-35-19-14-20-36-70)92-79-41-22-21-38-74(79)75-46-45-67(55-82(75)92)93-66-30-26-29-65(54-66)90-58-91(81-43-24-23-42-80(81)90)84-72(61-44-47-77-78(52-61)88(10,11)57-87(77,8)9)39-27-40-73(84)62-49-63(85(2,3)4)53-64(50-62)86(5,6)7;/h12-53,56H,57H2,1-11H3;/q-2;/i1D3,8D3,9D3,10D3,11D3,44D,47D,52D;.

What are the key properties of [3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum?

[3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum has a molecular weight of 1448.89 g/mol, XLogP of 18.83, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-[2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4,6,7-trideuterio-1,1,3,3-tetrakis(trideuteriomethyl)-2H-inden-5-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane;platinum is sourced from PubChem (CID 171427035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).