6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum

C57H42N4O2Pt-2 — CID 164833869

About 6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum

6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum (PubChem CID 164833869) has the molecular formula C57H42N4O2Pt-2 and a molecular weight of 1015.10 g/mol. Its IUPAC name is 6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum
• PubChem CID: 164833869
• Molecular Formula: C57H42N4O2Pt-2
• Molecular Weight: 1015.10 g/mol
• Exact Mass: 1014.33
• IUPAC Name: 6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(-c6coc7c(-c8c(-c9ccccc9)cccc8-c8ccccc8)[n+](C(C)(C)C)[c-]n67)ccc5)ccc4c4ccccc43)cc2C)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C57H42N4O2.Pt/c1-38-32-53(58-35-49(38)41-22-12-7-13-23-41)61-50-29-15-14-26-47(50)48-31-30-44(34-51(48)61)63-43-25-16-24-42(33-43)52-36-62-56-55(60(37-59(52)56)57(2,3)4)54-45(39-18-8-5-9-19-39)27-17-28-46(54)40-20-10-6-11-21-40;/h5-32,35-36H,1-4H3;/q-2;/i7D,12D,13D,22D,23D
• InChIKey: XNGNIXUFYBQZOF-NVTLOSAMSA-N
• XLogP: 13.90
• TPSA: 48.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.10
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum?

The IUPAC name of 6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum (CID 164833869) is 6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum.

What is the SMILES notation for 6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum?

The canonical SMILES for 6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(-c6coc7c(-c8c(-c9ccccc9)cccc8-c8ccccc8)[n+](C(C)(C)C)[c-]n67)ccc5)ccc4c4ccccc43)cc2C)c([2H])c1[2H].[Pt].

What is the InChIKey of 6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum?

The InChIKey is XNGNIXUFYBQZOF-NVTLOSAMSA-N. The full InChI is InChI=1S/C57H42N4O2.Pt/c1-38-32-53(58-35-49(38)41-22-12-7-13-23-41)61-50-29-15-14-26-47(50)48-31-30-44(34-51(48)61)63-43-25-16-24-42(33-43)52-36-62-56-55(60(37-59(52)56)57(2,3)4)54-45(39-18-8-5-9-19-39)27-17-28-46(54)40-20-10-6-11-21-40;/h5-32,35-36H,1-4H3;/q-2;/i7D,12D,13D,22D,23D;.

What are the key properties of 6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum?

6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum has a molecular weight of 1015.10 g/mol, XLogP of 13.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-7-(2,6-diphenylphenyl)-3-[3-[[9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum is sourced from PubChem (CID 164833869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).