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

C76H68F2N5OPt-3 — CID 172530267

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

2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172530267) has the molecular formula C76H68F2N5OPt-3 and a molecular weight of 1300.49 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172530267
• Molecular Formula: C76H68F2N5OPt-3
• Molecular Weight: 1300.49 g/mol
• Exact Mass: 1299.51
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3cc(F)cc(F)c3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-n4c5ccccc5c5ccccc54)c3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C76H68F2N5O.Pt/c1-73(2,3)49-31-32-79-71(40-49)83-67-26-18-15-23-61(67)62-30-29-57(45-70(62)83)84-58-43-55(42-56(44-58)82-65-24-16-13-21-59(65)60-22-14-17-25-66(60)82)80-46-81(69-28-20-19-27-68(69)80)72-63(47-33-50(74(4,5)6)37-51(34-47)75(7,8)9)38-52(76(10,11)12)39-64(72)48-35-53(77)41-54(78)36-48;/h13-42,44,46H,1-12H3;/q-3
• InChIKey: ACIVUJJTPNADDM-UHFFFAOYSA-N
• XLogP: 20.88
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1300.49
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172530267) is 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3cc(F)cc(F)c3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-n4c5ccccc5c5ccccc54)c3)c3ccccc32)cc(C(C)(C)C)c1.[Pt].

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

The InChIKey is ACIVUJJTPNADDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H68F2N5O.Pt/c1-73(2,3)49-31-32-79-71(40-49)83-67-26-18-15-23-61(67)62-30-29-57(45-70(62)83)84-58-43-55(42-56(44-58)82-65-24-16-13-21-59(65)60-22-14-17-25-66(60)82)80-46-81(69-28-20-19-27-68(69)80)72-63(47-33-50(74(4,5)6)37-51(34-47)75(7,8)9)38-52(76(10,11)12)39-64(72)48-35-53(77)41-54(78)36-48;/h13-42,44,46H,1-12H3;/q-3;.

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

2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1300.49 g/mol, XLogP of 20.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-carbazol-9-ylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172530267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).