4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+)

C54H50F6N4OPtS2 — CID 169277740

About 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+)

4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+) (PubChem CID 169277740) has the molecular formula C54H50F6N4OPtS2 and a molecular weight of 1144.22 g/mol. Its IUPAC name is 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+)
• PubChem CID: 169277740
• Molecular Formula: C54H50F6N4OPtS2
• Molecular Weight: 1144.22 g/mol
• Exact Mass: 1143.30
• IUPAC Name: 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+)
• SMILES: CC(C)(C)c1cc(Oc2[c-]c(-c3nccc4nc(-c5ccc(CC(C)(C)C(F)(F)F)cc5)sc34)cc(C(C)(C)C)c2)[c-]c(-c2nccc3nc(-c4ccc(CC(C)(C)C(F)(F)F)cc4)sc23)c1.[Pt+2]
• InChI: InChI=1S/C54H50F6N4OS2.Pt/c1-49(2,3)37-23-35(43-45-41(19-21-61-43)63-47(66-45)33-15-11-31(12-16-33)29-51(7,8)53(55,56)57)25-39(27-37)65-40-26-36(24-38(28-40)50(4,5)6)44-46-42(20-22-62-44)64-48(67-46)34-17-13-32(14-18-34)30-52(9,10)54(58,59)60;/h11-24,27-28H,29-30H2,1-10H3;/q-2;+2
• InChIKey: PIIDYGVBLPBXDT-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 60.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1144.22
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+)?

The IUPAC name of 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+) (CID 169277740) is 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+).

What is the SMILES notation for 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+)?

The canonical SMILES for 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+) is CC(C)(C)c1cc(Oc2[c-]c(-c3nccc4nc(-c5ccc(CC(C)(C)C(F)(F)F)cc5)sc34)cc(C(C)(C)C)c2)[c-]c(-c2nccc3nc(-c4ccc(CC(C)(C)C(F)(F)F)cc4)sc23)c1.[Pt+2].

What is the InChIKey of 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+)?

The InChIKey is PIIDYGVBLPBXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50F6N4OS2.Pt/c1-49(2,3)37-23-35(43-45-41(19-21-61-43)63-47(66-45)33-15-11-31(12-16-33)29-51(7,8)53(55,56)57)25-39(27-37)65-40-26-36(24-38(28-40)50(4,5)6)44-46-42(20-22-62-44)64-48(67-46)34-17-13-32(14-18-34)30-52(9,10)54(58,59)60;/h11-24,27-28H,29-30H2,1-10H3;/q-2;+2.

What are the key properties of 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+)?

4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+) has a molecular weight of 1144.22 g/mol, XLogP of 16.61, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+) is sourced from PubChem (CID 169277740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).