2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C56H50N3OPt- — CID 176722866

About 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 176722866) has the molecular formula C56H50N3OPt- and a molecular weight of 976.11 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 176722866
• Molecular Formula: C56H50N3OPt-
• Molecular Weight: 976.11 g/mol
• Exact Mass: 975.36
• IUPAC Name: 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: Cc1cnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)cc(-c3cccc(-c4ccccc4)c3)c2)cc1-c1ccc2ccccc2c1.[Pt]
• InChI: InChI=1S/C56H50N3O.Pt/c1-35-34-57-50(33-47(35)41-25-24-37-18-12-13-19-38(37)27-41)44-29-42(40-21-14-20-39(26-40)36-16-10-9-11-17-36)28-43(30-44)46-22-15-23-51-52(46)58-54(59(51)8)48-31-45(55(2,3)4)32-49(53(48)60)56(5,6)7;/h9-29,31-34,60H,1-8H3;/q-1
• InChIKey: QSAMSAOWYJYEII-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	976.11
LogP ≤ 5	14.53
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-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 176722866) is 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is Cc1cnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)cc(-c3cccc(-c4ccccc4)c3)c2)cc1-c1ccc2ccccc2c1.[Pt].

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

The InChIKey is QSAMSAOWYJYEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N3O.Pt/c1-35-34-57-50(33-47(35)41-25-24-37-18-12-13-19-38(37)27-41)44-29-42(40-21-14-20-39(26-40)36-16-10-9-11-17-36)28-43(30-44)46-22-15-23-51-52(46)58-54(59(51)8)48-31-45(55(2,3)4)32-49(53(48)60)56(5,6)7;/h9-29,31-34,60H,1-8H3;/q-1;.

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

2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 976.11 g/mol, XLogP of 14.53, 6 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-[1-methyl-4-[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)-5-(3-phenylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 176722866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).