11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

C32H18F2N4Pt — CID 58202854

About 11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 58202854) has the molecular formula C32H18F2N4Pt and a molecular weight of 691.60 g/mol. Its IUPAC name is 11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

• Compound Name: 11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• PubChem CID: 58202854
• Molecular Formula: C32H18F2N4Pt
• Molecular Weight: 691.60 g/mol
• Exact Mass: 691.11
• IUPAC Name: 11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• SMILES: Fc1[c-]c2c(cc1)c1ccccc1n1cc(CCc3cn4c5ccccc5c5ccc(F)[c-]c5c4n3)nc21.[Pt+2]
• InChI: InChI=1S/C32H18F2N4.Pt/c33-19-9-13-23-25-5-1-3-7-29(25)37-17-21(35-31(37)27(23)15-19)11-12-22-18-38-30-8-4-2-6-26(30)24-14-10-20(34)16-28(24)32(38)36-22;/h1-10,13-14,17-18H,11-12H2;/q-2;+2
• InChIKey: LVWBCGYHVRSELK-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.60
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The IUPAC name of 11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (CID 58202854) is 11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

What is the SMILES notation for 11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The canonical SMILES for 11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is Fc1[c-]c2c(cc1)c1ccccc1n1cc(CCc3cn4c5ccccc5c5ccc(F)[c-]c5c4n3)nc21.[Pt+2].

What is the InChIKey of 11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The InChIKey is LVWBCGYHVRSELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F2N4.Pt/c33-19-9-13-23-25-5-1-3-7-29(25)37-17-21(35-31(37)27(23)15-19)11-12-22-18-38-30-8-4-2-6-26(30)24-14-10-20(34)16-28(24)32(38)36-22;/h1-10,13-14,17-18H,11-12H2;/q-2;+2.

What are the key properties of 11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 691.60 g/mol, XLogP of 7.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-fluoro-2-[2-(11-fluoro-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl)ethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 58202854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).