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

C70H64F3N4OPt-3 — CID 172531633

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

2-[3-tert-butyl-5-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172531633) has the molecular formula C70H64F3N4OPt-3 and a molecular weight of 1229.38 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172531633
• Molecular Formula: C70H64F3N4OPt-3
• Molecular Weight: 1229.38 g/mol
• Exact Mass: 1228.47
• IUPAC Name: 2-[3-tert-butyl-5-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4)cc3-c3c(F)cc(F)cc3F)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C70H64F3N4O.Pt/c1-67(2,3)46-28-29-74-64(37-46)77-60-23-17-16-22-54(60)55-27-26-52(41-63(55)77)78-53-36-49(70(10,11)12)35-51(40-53)75-42-76(62-25-19-18-24-61(62)75)66-56(45-30-47(68(4,5)6)34-48(31-45)69(7,8)9)32-44(43-20-14-13-15-21-43)33-57(66)65-58(72)38-50(71)39-59(65)73;/h13-39,42H,1-12H3;/q-3
• InChIKey: OKAONEKZFZUODA-UHFFFAOYSA-N
• XLogP: 19.59
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.38
LogP ≤ 5	19.59
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 2-[3-tert-butyl-5-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172531633) is 2-[3-tert-butyl-5-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-tert-butyl-5-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4)cc3-c3c(F)cc(F)cc3F)c3ccccc32)c1.[Pt].

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

The InChIKey is OKAONEKZFZUODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H64F3N4O.Pt/c1-67(2,3)46-28-29-74-64(37-46)77-60-23-17-16-22-54(60)55-27-26-52(41-63(55)77)78-53-36-49(70(10,11)12)35-51(40-53)75-42-76(62-25-19-18-24-61(62)75)66-56(45-30-47(68(4,5)6)34-48(31-45)69(7,8)9)32-44(43-20-14-13-15-21-43)33-57(66)65-58(72)38-50(71)39-59(65)73;/h13-39,42H,1-12H3;/q-3;.

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

2-[3-tert-butyl-5-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1229.38 g/mol, XLogP of 19.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-[2-(3,5-ditert-butylphenyl)-4-phenyl-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172531633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).