5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

C32H32N4Pt — CID 58517469

About 5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (PubChem CID 58517469) has the molecular formula C32H32N4Pt and a molecular weight of 667.71 g/mol. Its IUPAC name is 5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+).

Molecular Properties

• Compound Name: 5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
• PubChem CID: 58517469
• Molecular Formula: C32H32N4Pt
• Molecular Weight: 667.71 g/mol
• Exact Mass: 667.23
• IUPAC Name: 5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
• SMILES: CC(C)(C)c1cc2ccc[c-]c2c2nc(CCc3cn4c(C(C)(C)C)cc5ccc[c-]c5c4n3)cn12.[Pt+2]
• InChI: InChI=1S/C32H32N4.Pt/c1-31(2,3)27-17-21-11-7-9-13-25(21)29-33-23(19-35(27)29)15-16-24-20-36-28(32(4,5)6)18-22-12-8-10-14-26(22)30(36)34-24;/h7-12,17-20H,15-16H2,1-6H3;/q-2;+2
• InChIKey: KCEOFUNXPBFEAV-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.71
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
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 5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?

The IUPAC name of 5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (CID 58517469) is 5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+).

What is the SMILES notation for 5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?

The canonical SMILES for 5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is CC(C)(C)c1cc2ccc[c-]c2c2nc(CCc3cn4c(C(C)(C)C)cc5ccc[c-]c5c4n3)cn12.[Pt+2].

What is the InChIKey of 5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?

The InChIKey is KCEOFUNXPBFEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4.Pt/c1-31(2,3)27-17-21-11-7-9-13-25(21)29-33-23(19-35(27)29)15-16-24-20-36-28(32(4,5)6)18-22-12-8-10-14-26(22)30(36)34-24;/h7-12,17-20H,15-16H2,1-6H3;/q-2;+2.

What are the key properties of 5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?

5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) has a molecular weight of 667.71 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-[2-(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)ethyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is sourced from PubChem (CID 58517469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).