[3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum

C76H56N4OPtSi-2 — CID 155657266

About [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum

[3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum (PubChem CID 155657266) has the molecular formula C76H56N4OPtSi-2 and a molecular weight of 1274.54 g/mol. Its IUPAC name is [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum.

Molecular Properties

• Compound Name: [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum
• PubChem CID: 155657266
• Molecular Formula: C76H56N4OPtSi-2
• Molecular Weight: 1274.54 g/mol
• Exact Mass: 1273.45
• IUPAC Name: [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C76H56N4OSi.Pt/c1-76(2,3)58-46-47-77-74(50-58)80-70-45-42-57(56-28-21-37-65(48-56)82(62-31-13-6-14-32-62,63-33-15-7-16-34-63)64-35-17-8-18-36-64)49-69(70)68-44-43-61(52-73(68)80)81-60-30-22-29-59(51-60)78-53-79(72-41-20-19-40-71(72)78)75-66(54-24-9-4-10-25-54)38-23-39-67(75)55-26-11-5-12-27-55;/h4-50H,1-3H3;/q-2;/i4D,5D,9D,10D,11D,12D,24D,25D,26D,27D
• InChIKey: CTZNFUYPYXLNLN-BZTLZJROSA-N
• XLogP: 15.27
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1274.54
LogP ≤ 5	15.27
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-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum?

The IUPAC name of [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum (CID 155657266) is [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum.

What is the SMILES notation for [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum?

The canonical SMILES for [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum?

The InChIKey is CTZNFUYPYXLNLN-BZTLZJROSA-N. The full InChI is InChI=1S/C76H56N4OSi.Pt/c1-76(2,3)58-46-47-77-74(50-58)80-70-45-42-57(56-28-21-37-65(48-56)82(62-31-13-6-14-32-62,63-33-15-7-16-34-63)64-35-17-8-18-36-64)49-69(70)68-44-43-61(52-73(68)80)81-60-30-22-29-59(51-60)78-53-79(72-41-20-19-40-71(72)78)75-66(54-24-9-4-10-25-54)38-23-39-67(75)55-26-11-5-12-27-55;/h4-50H,1-3H3;/q-2;/i4D,5D,9D,10D,11D,12D,24D,25D,26D,27D;.

What are the key properties of [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum?

[3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum has a molecular weight of 1274.54 g/mol, XLogP of 15.27, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-triphenylsilane;platinum is sourced from PubChem (CID 155657266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).