2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum

C74H63N4O2Pt- — CID 169309217

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 169309217) has the molecular formula C74H63N4O2Pt- and a molecular weight of 1235.42 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 169309217
• Molecular Formula: C74H63N4O2Pt-
• Molecular Weight: 1235.42 g/mol
• Exact Mass: 1234.46
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(-c3ccccc3)cc2-c2ccccc2)[c-]c(-c2nc3ccc4c5cccc(-c6ccccc6)c5oc4c3n2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C74H63N4O2.Pt/c1-72(2,3)52-41-50(40-51(42-52)70-75-62-38-37-58-57-34-22-33-56(47-26-16-11-17-27-47)68(57)80-69(58)66(62)77(70)54-30-20-13-21-31-54)55-32-23-35-64-65(55)76-71(60-44-53(73(4,5)6)45-61(67(60)79)74(7,8)9)78(64)63-39-36-49(46-24-14-10-15-25-46)43-59(63)48-28-18-12-19-29-48;/h10-39,41-45,79H,1-9H3;/q-1
• InChIKey: KJBKGXPUCBQXOO-UHFFFAOYSA-N
• XLogP: 19.66
• TPSA: 69.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1235.42
LogP ≤ 5	19.66
H-Bond Donors ≤ 5	1
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 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 169309217) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(-c3ccccc3)cc2-c2ccccc2)[c-]c(-c2nc3ccc4c5cccc(-c6ccccc6)c5oc4c3n2-c2ccccc2)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is KJBKGXPUCBQXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H63N4O2.Pt/c1-72(2,3)52-41-50(40-51(42-52)70-75-62-38-37-58-57-34-22-33-56(47-26-16-11-17-27-47)68(57)80-69(58)66(62)77(70)54-30-20-13-21-31-54)55-32-23-35-64-65(55)76-71(60-44-53(73(4,5)6)45-61(67(60)79)74(7,8)9)78(64)63-39-36-49(46-24-14-10-15-25-46)43-59(63)48-28-18-12-19-29-48;/h10-39,41-45,79H,1-9H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1235.42 g/mol, XLogP of 19.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(1,9-diphenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 169309217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).