6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+)

C45H32N4Pt — CID 153428872

About 6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+)

6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+) (PubChem CID 153428872) has the molecular formula C45H32N4Pt and a molecular weight of 823.86 g/mol. Its IUPAC name is 6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+)
• PubChem CID: 153428872
• Molecular Formula: C45H32N4Pt
• Molecular Weight: 823.86 g/mol
• Exact Mass: 823.23
• IUPAC Name: 6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-c2[c-]c(C3(c4[c-]c(-c5ccccn5)c5cnccc5c4)c4ccccc4-c4ccccc43)cc3ccncc23)c1.[Pt+2]
• InChI: InChI=1S/C45H32N4.Pt/c1-44(2,3)31-17-21-49-43(26-31)37-25-33(23-30-16-20-47-28-39(30)37)45(40-12-6-4-10-34(40)35-11-5-7-13-41(35)45)32-22-29-15-19-46-27-38(29)36(24-32)42-14-8-9-18-48-42;/h4-23,26-28H,1-3H3;/q-2;+2
• InChIKey: FZUWFMPJRAFTFL-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.86
LogP ≤ 5	10.17
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 6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+)?

The IUPAC name of 6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+) (CID 153428872) is 6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+).

What is the SMILES notation for 6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+)?

The canonical SMILES for 6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(C3(c4[c-]c(-c5ccccn5)c5cnccc5c4)c4ccccc4-c4ccccc43)cc3ccncc23)c1.[Pt+2].

What is the InChIKey of 6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+)?

The InChIKey is FZUWFMPJRAFTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4.Pt/c1-44(2,3)31-17-21-49-43(26-31)37-25-33(23-30-16-20-47-28-39(30)37)45(40-12-6-4-10-34(40)35-11-5-7-13-41(35)45)32-22-29-15-19-46-27-38(29)36(24-32)42-14-8-9-18-48-42;/h4-23,26-28H,1-3H3;/q-2;+2.

What are the key properties of 6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+)?

6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+) has a molecular weight of 823.86 g/mol, XLogP of 10.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+) is sourced from PubChem (CID 153428872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).