2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum

C33H27F3N3OPt- — CID 171579886

About 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum

2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum (PubChem CID 171579886) has the molecular formula C33H27F3N3OPt- and a molecular weight of 733.67 g/mol. Its IUPAC name is 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum.

Molecular Properties

• Compound Name: 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum
• PubChem CID: 171579886
• Molecular Formula: C33H27F3N3OPt-
• Molecular Weight: 733.67 g/mol
• Exact Mass: 733.18
• IUPAC Name: 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum
• SMILES: CC(C)c1ccnc(N2c3[c-]c(-c4ccc5ccc(C(F)(F)F)c(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C33H27F3N3O.Pt/c1-19(2)21-15-16-37-29(18-21)39-27-8-6-5-7-23(27)32(3,4)24-12-10-22(17-28(24)39)26-14-11-20-9-13-25(33(34,35)36)31(40)30(20)38-26;/h5-16,18-19,40H,1-4H3;/q-1
• InChIKey: PPGFLBHNSIQWMO-UHFFFAOYSA-N
• XLogP: 9.05
• TPSA: 49.25 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	733.67
LogP ≤ 5	9.05
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-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum?

The IUPAC name of 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum (CID 171579886) is 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum.

What is the SMILES notation for 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum?

The canonical SMILES for 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum is CC(C)c1ccnc(N2c3[c-]c(-c4ccc5ccc(C(F)(F)F)c(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum?

The InChIKey is PPGFLBHNSIQWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F3N3O.Pt/c1-19(2)21-15-16-37-29(18-21)39-27-8-6-5-7-23(27)32(3,4)24-12-10-22(17-28(24)39)26-14-11-20-9-13-25(33(34,35)36)31(40)30(20)38-26;/h5-16,18-19,40H,1-4H3;/q-1;.

What are the key properties of 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum?

2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum has a molecular weight of 733.67 g/mol, XLogP of 9.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(trifluoromethyl)quinolin-8-ol;platinum is sourced from PubChem (CID 171579886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).