copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide

C30H26CuI2N8 — CID 11479903

About copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide

copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide (PubChem CID 11479903) has the molecular formula C30H26CuI2N8 and a molecular weight of 815.95 g/mol. Its IUPAC name is copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide.

Molecular Properties

• Compound Name: copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide
• PubChem CID: 11479903
• Molecular Formula: C30H26CuI2N8
• Molecular Weight: 815.95 g/mol
• Exact Mass: 814.97
• IUPAC Name: copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide
• SMILES: Cn1cc[n+](C)c1-c1c2nc(cc3ccc([n-]3)c(-c3n(C)cc[n+]3C)c3nc(cc4ccc1[n-]4)C=C3)C=C2.[Cu+2].[I-].[I-]
• InChI: InChI=1S/C30H26N8.Cu.2HI/c1-35-13-14-36(2)29(35)27-23-9-5-19(31-23)17-21-7-11-25(33-21)28(30-37(3)15-16-38(30)4)26-12-8-22(34-26)18-20-6-10-24(27)32-20;;;/h5-18H,1-4H3;;2*1H/q;+2;;/p-2/b19-17-
• InChIKey: VCEVXRNXSHCZBH-SHFIFAJNSA-L
• XLogP: -2.42
• TPSA: 71.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	815.95
LogP ≤ 5	-2.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide?

The IUPAC name of copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide (CID 11479903) is copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide.

What is the SMILES notation for copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide?

The canonical SMILES for copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide is Cn1cc[n+](C)c1-c1c2nc(cc3ccc([n-]3)c(-c3n(C)cc[n+]3C)c3nc(cc4ccc1[n-]4)C=C3)C=C2.[Cu+2].[I-].[I-].

What is the InChIKey of copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide?

The InChIKey is VCEVXRNXSHCZBH-SHFIFAJNSA-L. The full InChI is InChI=1S/C30H26N8.Cu.2HI/c1-35-13-14-36(2)29(35)27-23-9-5-19(31-23)17-21-7-11-25(33-21)28(30-37(3)15-16-38(30)4)26-12-8-22(34-26)18-20-6-10-24(27)32-20;;;/h5-18H,1-4H3;;2*1H/q;+2;;/p-2/b19-17-;;;.

What are the key properties of copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide?

copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide has a molecular weight of 815.95 g/mol, XLogP of -2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide is sourced from PubChem (CID 11479903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).