4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C49H43F2N4OPt- — CID 177110275

About 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 177110275) has the molecular formula C49H43F2N4OPt- and a molecular weight of 936.98 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 177110275
• Molecular Formula: C49H43F2N4OPt-
• Molecular Weight: 936.98 g/mol
• Exact Mass: 936.31
• IUPAC Name: 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: Cc1ccnc2c(-c3[c-]c(-c4cc(C(F)(F)c5ccccc5)cc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5-c4ccc(C(C)(C)C)cc4)ccc3)ccnc12.[Pt]
• InChI: InChI=1S/C49H43F2N4O.Pt/c1-30-22-24-53-45-38(23-25-52-43(30)45)31-12-11-13-32(26-31)39-28-36(49(50,51)34-14-9-8-10-15-34)29-41-44(39)54-46(40-27-35(48(5,6)7)18-21-42(40)56)55(41)37-19-16-33(17-20-37)47(2,3)4;/h8-25,27-29,56H,1-7H3;/q-1
• InChIKey: RSNIPDRSPRGJOE-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.98
LogP ≤ 5	12.52
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 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 177110275) is 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is Cc1ccnc2c(-c3[c-]c(-c4cc(C(F)(F)c5ccccc5)cc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5-c4ccc(C(C)(C)C)cc4)ccc3)ccnc12.[Pt].

What is the InChIKey of 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is RSNIPDRSPRGJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43F2N4O.Pt/c1-30-22-24-53-45-38(23-25-52-43(30)45)31-12-11-13-32(26-31)39-28-36(49(50,51)34-14-9-8-10-15-34)29-41-44(39)54-46(40-27-35(48(5,6)7)18-21-42(40)56)55(41)37-19-16-33(17-20-37)47(2,3)4;/h8-25,27-29,56H,1-7H3;/q-1;.

What are the key properties of 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 936.98 g/mol, XLogP of 12.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).