2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum

C59H55N4OPt- — CID 153304231

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 153304231) has the molecular formula C59H55N4OPt- and a molecular weight of 1031.19 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-pyridin-2-yl-2-pyridinyl)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-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153304231
• Molecular Formula: C59H55N4OPt-
• Molecular Weight: 1031.19 g/mol
• Exact Mass: 1030.40
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2ccc(-c3ccccn3)cn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(-c3ccccc3)cc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C59H55N4O.Pt/c1-57(2,3)44-32-42(31-43(33-44)51-28-26-41(37-61-51)50-24-16-17-30-60-50)46-23-18-25-53-54(46)62-56(48-35-45(58(4,5)6)36-49(55(48)64)59(7,8)9)63(53)52-29-27-40(38-19-12-10-13-20-38)34-47(52)39-21-14-11-15-22-39;/h10-30,32-37,64H,1-9H3;/q-1
• InChIKey: FHKINHWSUSFTGW-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.19
LogP ≤ 5	15.21
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-[4-[3-tert-butyl-5-(5-pyridin-2-yl-2-pyridinyl)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-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 153304231) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-pyridin-2-yl-2-pyridinyl)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-(5-pyridin-2-yl-2-pyridinyl)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-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2ccc(-c3ccccn3)cn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(-c3ccccc3)cc2-c2ccccc2)c1.[Pt].

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

The InChIKey is FHKINHWSUSFTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H55N4O.Pt/c1-57(2,3)44-32-42(31-43(33-44)51-28-26-41(37-61-51)50-24-16-17-30-60-50)46-23-18-25-53-54(46)62-56(48-35-45(58(4,5)6)36-49(55(48)64)59(7,8)9)63(53)52-29-27-40(38-19-12-10-13-20-38)34-47(52)39-21-14-11-15-22-39;/h10-30,32-37,64H,1-9H3;/q-1;.

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1031.19 g/mol, XLogP of 15.21, 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-[4-[3-tert-butyl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153304231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).