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

C38H32N3OPt- — CID 171580032

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

2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-phenylquinolin-8-ol;platinum (PubChem CID 171580032) has the molecular formula C38H32N3OPt- and a molecular weight of 741.77 g/mol. Its IUPAC name is 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-phenylquinolin-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-phenylquinolin-8-ol;platinum
• PubChem CID: 171580032
• Molecular Formula: C38H32N3OPt-
• Molecular Weight: 741.77 g/mol
• Exact Mass: 741.22
• IUPAC Name: 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-phenylquinolin-8-ol;platinum
• SMILES: CC(C)c1ccnc(N2c3[c-]c(-c4ccc5ccc(-c6ccccc6)c(O)c5n4)ccc3C(C)(C)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C38H32N3O.Pt/c1-24(2)27-20-21-39-35(23-27)41-33-13-9-8-12-30(33)38(3,4)31-18-15-28(22-34(31)41)32-19-16-26-14-17-29(37(42)36(26)40-32)25-10-6-5-7-11-25;/h5-21,23-24,42H,1-4H3;/q-1
• InChIKey: XLCHSXMELAMDQI-UHFFFAOYSA-N
• XLogP: 9.70
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.77
LogP ≤ 5	9.70
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-phenylquinolin-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-phenylquinolin-8-ol;platinum (CID 171580032) is 2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-phenylquinolin-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-phenylquinolin-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-phenylquinolin-8-ol;platinum is CC(C)c1ccnc(N2c3[c-]c(-c4ccc5ccc(-c6ccccc6)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-phenylquinolin-8-ol;platinum?

The InChIKey is XLCHSXMELAMDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N3O.Pt/c1-24(2)27-20-21-39-35(23-27)41-33-13-9-8-12-30(33)38(3,4)31-18-15-28(22-34(31)41)32-19-16-26-14-17-29(37(42)36(26)40-32)25-10-6-5-7-11-25;/h5-21,23-24,42H,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-phenylquinolin-8-ol;platinum?

2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-phenylquinolin-8-ol;platinum has a molecular weight of 741.77 g/mol, XLogP of 9.70, 4 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-phenylquinolin-8-ol;platinum is sourced from PubChem (CID 171580032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).