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

C74H64F3N4OPt-3 — CID 172530855

About 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-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-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172530855) has the molecular formula C74H64F3N4OPt-3 and a molecular weight of 1277.42 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-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-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172530855
• Molecular Formula: C74H64F3N4OPt-3
• Molecular Weight: 1277.42 g/mol
• Exact Mass: 1276.47
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cc(-c2cc(C(C)(C)C)cc(-c3c(F)cc(F)cc3F)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4ccccc4-c4ccccc4)c3)c3ccccc32)cc(C(C)C)c1.[Pt]
• InChI: InChI=1S/C74H64F3N4O.Pt/c1-45(2)48-32-49(46(3)4)34-50(33-48)62-37-53(74(8,9)10)38-63(71-64(76)40-54(75)41-65(71)77)72(62)80-44-79(67-26-18-19-27-68(67)80)55-35-51(59-23-15-14-22-58(59)47-20-12-11-13-21-47)36-57(42-55)82-56-28-29-61-60-24-16-17-25-66(60)81(69(61)43-56)70-39-52(30-31-78-70)73(5,6)7;/h11-41,44-46H,1-10H3;/q-3
• InChIKey: ATUHHFIUSKEXJJ-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1277.42
LogP ≤ 5	20.91
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-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-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-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172530855) is 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-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-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-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-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)c1cc(-c2cc(C(C)(C)C)cc(-c3c(F)cc(F)cc3F)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4ccccc4-c4ccccc4)c3)c3ccccc32)cc(C(C)C)c1.[Pt].

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

The InChIKey is ATUHHFIUSKEXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H64F3N4O.Pt/c1-45(2)48-32-49(46(3)4)34-50(33-48)62-37-53(74(8,9)10)38-63(71-64(76)40-54(75)41-65(71)77)72(62)80-44-79(67-26-18-19-27-68(67)80)55-35-51(59-23-15-14-22-58(59)47-20-12-11-13-21-47)36-57(42-55)82-56-28-29-61-60-24-16-17-25-66(60)81(69(61)43-56)70-39-52(30-31-78-70)73(5,6)7;/h11-41,44-46H,1-10H3;/q-3;.

What are the key properties of 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-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-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1277.42 g/mol, XLogP of 20.91, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-tert-butyl-2-[3,5-di(propan-2-yl)phenyl]-6-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172530855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).