2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum

C33H24F3N2O2Pt- — CID 177110173

About 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum

2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 177110173) has the molecular formula C33H24F3N2O2Pt- and a molecular weight of 732.64 g/mol. Its IUPAC name is 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 177110173
• Molecular Formula: C33H24F3N2O2Pt-
• Molecular Weight: 732.64 g/mol
• Exact Mass: 732.14
• IUPAC Name: 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2[c-]c(-c3cccc4oc(-c5ccccc5O)nc34)cc(C(F)(F)F)c2)c2ncccc2c1.[Pt]
• InChI: InChI=1S/C33H24F3N2O2.Pt/c1-32(2,3)22-15-19-8-7-13-37-29(19)26(18-22)21-14-20(16-23(17-21)33(34,35)36)24-10-6-12-28-30(24)38-31(40-28)25-9-4-5-11-27(25)39;/h4-13,15-18,39H,1-3H3;/q-1
• InChIKey: DLBITPAIBJVRLG-UHFFFAOYSA-N
• XLogP: 9.20
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.64
LogP ≤ 5	9.20
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-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum (CID 177110173) is 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2[c-]c(-c3cccc4oc(-c5ccccc5O)nc34)cc(C(F)(F)F)c2)c2ncccc2c1.[Pt].

What is the InChIKey of 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

The InChIKey is DLBITPAIBJVRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F3N2O2.Pt/c1-32(2,3)22-15-19-8-7-13-37-29(19)26(18-22)21-14-20(16-23(17-21)33(34,35)36)24-10-6-12-28-30(24)38-31(40-28)25-9-4-5-11-27(25)39;/h4-13,15-18,39H,1-3H3;/q-1;.

What are the key properties of 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum?

2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 732.64 g/mol, XLogP of 9.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(6-tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).