4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum

C60H53F3N3OPtS- — CID 164939832

About 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164939832) has the molecular formula C60H53F3N3OPtS- and a molecular weight of 1116.24 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164939832
• Molecular Formula: C60H53F3N3OPtS-
• Molecular Weight: 1116.24 g/mol
• Exact Mass: 1115.35
• IUPAC Name: 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)Cc1cc(C(F)(F)F)c2c(ccc3c4cc(-c5cccc6c5nc(-c5cc(C(C)(C)C)ccc5O)n6-c5ccc(C(C)(C)C)cc5-c5ccccc5)nc(-c5[c-]cccc5)c4sc32)c1.[Pt]
• InChI: InChI=1S/C60H53F3N3OS.Pt/c1-57(2,3)34-35-29-38-23-26-41-44-33-47(64-52(37-19-14-11-15-20-37)55(44)68-54(41)51(38)46(30-35)60(61,62)63)42-21-16-22-49-53(42)65-56(45-32-40(59(7,8)9)25-28-50(45)67)66(49)48-27-24-39(58(4,5)6)31-43(48)36-17-12-10-13-18-36;/h10-19,21-33,67H,34H2,1-9H3;/q-1
• InChIKey: JRHRZSIDWGMUIV-UHFFFAOYSA-N
• XLogP: 17.32
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1116.24
LogP ≤ 5	17.32
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-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum (CID 164939832) is 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)Cc1cc(C(F)(F)F)c2c(ccc3c4cc(-c5cccc6c5nc(-c5cc(C(C)(C)C)ccc5O)n6-c5ccc(C(C)(C)C)cc5-c5ccccc5)nc(-c5[c-]cccc5)c4sc32)c1.[Pt].

What is the InChIKey of 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is JRHRZSIDWGMUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53F3N3OS.Pt/c1-57(2,3)34-35-29-38-23-26-41-44-33-47(64-52(37-19-14-11-15-20-37)55(44)68-54(41)51(38)46(30-35)60(61,62)63)42-21-16-22-49-53(42)65-56(45-32-40(59(7,8)9)25-28-50(45)67)66(49)48-27-24-39(58(4,5)6)31-43(48)36-17-12-10-13-18-36;/h10-19,21-33,67H,34H2,1-9H3;/q-1;.

What are the key properties of 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum?

4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1116.24 g/mol, XLogP of 17.32, 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-butyl-2-phenylphenyl)-4-[5-(2,2-dimethylpropyl)-15-phenyl-3-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-13-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164939832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).