2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C62H51N4OPt- — CID 162784220

About 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 162784220) has the molecular formula C62H51N4OPt- and a molecular weight of 1063.19 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 162784220
• Molecular Formula: C62H51N4OPt-
• Molecular Weight: 1063.19 g/mol
• Exact Mass: 1062.37
• IUPAC Name: 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nccc6c5c5ccccc5n6-c5ccccc5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C62H51N4O.Pt/c1-61(2,3)45-38-50(59(67)51(39-45)62(4,5)6)60-64-58-48(29-20-32-55(58)66(60)52-30-18-16-27-47(52)41-23-12-8-13-24-41)43-35-42(40-21-10-7-11-22-40)36-44(37-43)57-56-49-28-17-19-31-53(49)65(54(56)33-34-63-57)46-25-14-9-15-26-46;/h7-36,38-39,67H,1-6H3;/q-1
• InChIKey: YXRJFRRWJHJYKT-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1063.19
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	1
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 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 162784220) is 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nccc6c5c5ccccc5n6-c5ccccc5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is YXRJFRRWJHJYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H51N4O.Pt/c1-61(2,3)45-38-50(59(67)51(39-45)62(4,5)6)60-64-58-48(29-20-32-55(58)66(60)52-30-18-16-27-47(52)41-23-12-8-13-24-41)43-35-42(40-21-10-7-11-22-40)36-44(37-43)57-56-49-28-17-19-31-53(49)65(54(56)33-34-63-57)46-25-14-9-15-26-46;/h7-36,38-39,67H,1-6H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1063.19 g/mol, XLogP of 15.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(5-phenylpyrido[4,3-b]indol-1-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162784220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).