2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum

C64H65F3N3OPtS- — CID 177073447

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 177073447) has the molecular formula C64H65F3N3OPtS- and a molecular weight of 1176.38 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 177073447
• Molecular Formula: C64H65F3N3OPtS-
• Molecular Weight: 1176.38 g/mol
• Exact Mass: 1175.45
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: Cc1cc(C)c(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5ncc(C(F)(F)F)c6c(C)c(-c7ccc(C(C)(C)C)cc7)sc56)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C64H65F3N3OS.Pt/c1-36-28-37(2)55(47(29-36)39-20-17-16-18-21-39)70-51-23-19-22-46(54(51)69-59(70)48-33-45(62(10,11)12)34-49(56(48)71)63(13,14)15)41-30-42(32-44(31-41)61(7,8)9)53-58-52(50(35-68-53)64(65,66)67)38(3)57(72-58)40-24-26-43(27-25-40)60(4,5)6;/h16-29,31-35,71H,1-15H3;/q-1
• InChIKey: BOLGSMBRDKFNSD-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1176.38
LogP ≤ 5	18.61
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-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 177073447) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum is Cc1cc(C)c(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4[c-]c(-c5ncc(C(F)(F)F)c6c(C)c(-c7ccc(C(C)(C)C)cc7)sc56)cc(C(C)(C)C)c4)cccc32)c(-c2ccccc2)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is BOLGSMBRDKFNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H65F3N3OS.Pt/c1-36-28-37(2)55(47(29-36)39-20-17-16-18-21-39)70-51-23-19-22-46(54(51)69-59(70)48-33-45(62(10,11)12)34-49(56(48)71)63(13,14)15)41-30-42(32-44(31-41)61(7,8)9)53-58-52(50(35-68-53)64(65,66)67)38(3)57(72-58)40-24-26-43(27-25-40)60(4,5)6;/h16-29,31-35,71H,1-15H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1176.38 g/mol, XLogP of 18.61, 6 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-[2-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]-1-(2,4-dimethyl-6-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177073447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).