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

C49H42F2N3OPt- — CID 177110819

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

2-[4-[3-tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 177110819) has the molecular formula C49H42F2N3OPt- and a molecular weight of 921.97 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 177110819
• Molecular Formula: C49H42F2N3OPt-
• Molecular Weight: 921.97 g/mol
• Exact Mass: 921.29
• IUPAC Name: 2-[4-[3-tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(C(F)(F)c6ccccc6)cc6cccnc56)cc(C(C)(C)C)c4)cccc32)cc1.[Pt]
• InChI: InChI=1S/C49H42F2N3O.Pt/c1-47(2,3)34-21-23-38(24-22-34)54-42-19-12-18-39(45(42)53-46(54)40-17-10-11-20-43(40)55)32-26-33(29-36(28-32)48(4,5)6)41-30-37(27-31-14-13-25-52-44(31)41)49(50,51)35-15-8-7-9-16-35;/h7-25,27-30,55H,1-6H3;/q-1
• InChIKey: PPTGHMUDCDLOSY-UHFFFAOYSA-N
• XLogP: 12.81
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.97
LogP ≤ 5	12.81
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-[3-tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum (CID 177110819) is 2-[4-[3-tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc(C(F)(F)c6ccccc6)cc6cccnc56)cc(C(C)(C)C)c4)cccc32)cc1.[Pt].

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

The InChIKey is PPTGHMUDCDLOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42F2N3O.Pt/c1-47(2,3)34-21-23-38(24-22-34)54-42-19-12-18-39(45(42)53-46(54)40-17-10-11-20-43(40)55)32-26-33(29-36(28-32)48(4,5)6)41-30-37(27-31-14-13-25-52-44(31)41)49(50,51)35-15-8-7-9-16-35;/h7-25,27-30,55H,1-6H3;/q-1;.

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

2-[4-[3-tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 921.97 g/mol, XLogP of 12.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).