2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum

C31H23F3N3OPt- — CID 171580331

About 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum

2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum (PubChem CID 171580331) has the molecular formula C31H23F3N3OPt- and a molecular weight of 705.62 g/mol. Its IUPAC name is 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum.

Molecular Properties

• Compound Name: 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum
• PubChem CID: 171580331
• Molecular Formula: C31H23F3N3OPt-
• Molecular Weight: 705.62 g/mol
• Exact Mass: 705.14
• IUPAC Name: 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum
• SMILES: Cc1ccnc(N2c3[c-]c(-c4ccc5c(C(F)(F)F)ccc(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C31H23F3N3O.Pt/c1-18-14-15-35-28(16-18)37-25-7-5-4-6-22(25)30(2,3)23-10-8-19(17-26(23)37)24-12-9-20-21(31(32,33)34)11-13-27(38)29(20)36-24;/h4-16,38H,1-3H3;/q-1
• InChIKey: GMTHZAPJINTMGT-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.62
LogP ≤ 5	8.24
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-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum?

The IUPAC name of 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum (CID 171580331) is 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum.

What is the SMILES notation for 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum?

The canonical SMILES for 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum is Cc1ccnc(N2c3[c-]c(-c4ccc5c(C(F)(F)F)ccc(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum?

The InChIKey is GMTHZAPJINTMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N3O.Pt/c1-18-14-15-35-28(16-18)37-25-7-5-4-6-22(25)30(2,3)23-10-8-19(17-26(23)37)24-12-9-20-21(31(32,33)34)11-13-27(38)29(20)36-24;/h4-16,38H,1-3H3;/q-1;.

What are the key properties of 2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum?

2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum has a molecular weight of 705.62 g/mol, XLogP of 8.24, 2 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-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum is sourced from PubChem (CID 171580331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).