platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline)

C74H44N6Pt — CID 58939510

About platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline)

platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline) (PubChem CID 58939510) has the molecular formula C74H44N6Pt and a molecular weight of 1212.29 g/mol. Its IUPAC name is platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline).

Molecular Properties

• Compound Name: platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline)
• PubChem CID: 58939510
• Molecular Formula: C74H44N6Pt
• Molecular Weight: 1212.29 g/mol
• Exact Mass: 1211.33
• IUPAC Name: platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline)
• SMILES: [Pt+2].[c-]1cc(-c2cccc3ncccc23)c2ccccc2c1-c1ncc(-c2cccc3ncccc23)c2ccccc12.[c-]1cc(-c2cccc3ncccc23)c2ccccc2c1-c1ncc(-c2cccc3ncccc23)c2ccccc12
• InChI: InChI=1S/2C37H22N3.Pt/c2*1-2-10-26-24(9-1)29(25-13-5-17-35-30(25)15-7-21-38-35)19-20-33(26)37-32-12-4-3-11-28(32)34(23-40-37)27-14-6-18-36-31(27)16-8-22-39-36;/h2*1-19,21-23H;/q2*-1;+2
• InChIKey: KHNKLPXSYRWGLF-UHFFFAOYSA-N
• XLogP: 18.57
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1212.29
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline)?

The IUPAC name of platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline) (CID 58939510) is platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline).

What is the SMILES notation for platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline)?

The canonical SMILES for platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline) is [Pt+2].[c-]1cc(-c2cccc3ncccc23)c2ccccc2c1-c1ncc(-c2cccc3ncccc23)c2ccccc12.[c-]1cc(-c2cccc3ncccc23)c2ccccc2c1-c1ncc(-c2cccc3ncccc23)c2ccccc12.

What is the InChIKey of platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline)?

The InChIKey is KHNKLPXSYRWGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H22N3.Pt/c2*1-2-10-26-24(9-1)29(25-13-5-17-35-30(25)15-7-21-38-35)19-20-33(26)37-32-12-4-3-11-28(32)34(23-40-37)27-14-6-18-36-31(27)16-8-22-39-36;/h2*1-19,21-23H;/q2*-1;+2.

What are the key properties of platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline)?

platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline) has a molecular weight of 1212.29 g/mol, XLogP of 18.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);bis(4-quinolin-5-yl-1-(4-quinolin-5-yl-2H-naphthalen-2-id-1-yl)isoquinoline) is sourced from PubChem (CID 58939510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).