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

C61H64N3OPt- — CID 162783785

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 162783785) has the molecular formula C61H64N3OPt- and a molecular weight of 1050.28 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 162783785
• Molecular Formula: C61H64N3OPt-
• Molecular Weight: 1050.28 g/mol
• Exact Mass: 1049.47
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc3c(cn2)-c2ccccc2C3(C)C)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C61H64N3O.Pt/c1-57(2,3)40-27-28-52(45(32-40)37-21-16-15-17-22-37)64-53-26-20-24-43(54(53)63-56(64)46-33-42(59(7,8)9)34-50(55(46)65)60(10,11)12)38-29-39(31-41(30-38)58(4,5)6)51-35-49-47(36-62-51)44-23-18-19-25-48(44)61(49,13)14;/h15-28,30-36,65H,1-14H3;/q-1
• InChIKey: JEURCJYVTDYEHF-UHFFFAOYSA-N
• XLogP: 16.09
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1050.28
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 162783785) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc3c(cn2)-c2ccccc2C3(C)C)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt].

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

The InChIKey is JEURCJYVTDYEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H64N3O.Pt/c1-57(2,3)40-27-28-52(45(32-40)37-21-16-15-17-22-37)64-53-26-20-24-43(54(53)63-56(64)46-33-42(59(7,8)9)34-50(55(46)65)60(10,11)12)38-29-39(31-41(30-38)58(4,5)6)51-35-49-47(36-62-51)44-23-18-19-25-48(44)61(49,13)14;/h15-28,30-36,65H,1-14H3;/q-1;.

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1050.28 g/mol, XLogP of 16.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162783785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).