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

C84H84F3N4OPt-3 — CID 172531306

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 172531306) has the molecular formula C84H84F3N4OPt-3 and a molecular weight of 1417.69 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 172531306
• Molecular Formula: C84H84F3N4OPt-3
• Molecular Weight: 1417.69 g/mol
• Exact Mass: 1416.63
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3c(F)cc(F)cc3F)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4c(C(C)(C)C)cc(C(C)(C)C)cc4C(C)(C)C)c3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C84H84F3N4O.Pt/c1-79(2,3)55-34-35-88-75(45-55)91-71-29-23-22-28-63(71)64-33-32-61(49-74(64)91)92-62-39-54(76-67(83(13,14)15)43-58(82(10,11)12)44-68(76)84(16,17)18)38-60(48-62)89-50-90(73-31-25-24-30-72(73)89)78-65(53-36-56(80(4,5)6)42-57(37-53)81(7,8)9)40-52(51-26-20-19-21-27-51)41-66(78)77-69(86)46-59(85)47-70(77)87;/h19-47,50H,1-18H3;/q-3
• InChIKey: RCGIMDPJORZVDX-UHFFFAOYSA-N
• XLogP: 23.85
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1417.69
LogP ≤ 5	23.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 172531306) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3c(F)cc(F)cc3F)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4c(C(C)(C)C)cc(C(C)(C)C)cc4C(C)(C)C)c3)c3ccccc32)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is RCGIMDPJORZVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H84F3N4O.Pt/c1-79(2,3)55-34-35-88-75(45-55)91-71-29-23-22-28-63(71)64-33-32-61(49-74(64)91)92-62-39-54(76-67(83(13,14)15)43-58(82(10,11)12)44-68(76)84(16,17)18)38-60(48-62)89-50-90(73-31-25-24-30-72(73)89)78-65(53-36-56(80(4,5)6)42-57(37-53)81(7,8)9)40-52(51-26-20-19-21-27-51)41-66(78)77-69(86)46-59(85)47-70(77)87;/h19-47,50H,1-18H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1417.69 g/mol, XLogP of 23.85, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172531306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).