N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+)

C28H23MnN4O2+ — CID 162457837

About N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+)

N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+) (PubChem CID 162457837) has the molecular formula C28H23MnN4O2+ and a molecular weight of 502.46 g/mol. Its IUPAC name is N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+).

Molecular Properties

• Compound Name: N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+)
• PubChem CID: 162457837
• Molecular Formula: C28H23MnN4O2+
• Molecular Weight: 502.46 g/mol
• Exact Mass: 502.12
• IUPAC Name: N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+)
• SMILES: Cn1cc(-c2cccc(C(C/N=C/c3coc4oc[c-]c34)c3ccccc3)n2)c2[cH-]c[n+](C)c21.[Mn+2]
• InChI: InChI=1S/C28H23N4O2.Mn/c1-31-13-11-22-24(17-32(2)27(22)31)26-10-6-9-25(30-26)23(19-7-4-3-5-8-19)16-29-15-20-18-34-28-21(20)12-14-33-28;/h3-11,13-15,17-18,23H,16H2,1-2H3;/q-1;+2/b29-15+
• InChIKey: SKJCMMQZDKUZPT-GZPZNDDGSA-N
• XLogP: 5.17
• TPSA: 60.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.46
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+)?

The IUPAC name of N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+) (CID 162457837) is N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+).

What is the SMILES notation for N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+)?

The canonical SMILES for N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+) is Cn1cc(-c2cccc(C(C/N=C/c3coc4oc[c-]c34)c3ccccc3)n2)c2[cH-]c[n+](C)c21.[Mn+2].

What is the InChIKey of N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+)?

The InChIKey is SKJCMMQZDKUZPT-GZPZNDDGSA-N. The full InChI is InChI=1S/C28H23N4O2.Mn/c1-31-13-11-22-24(17-32(2)27(22)31)26-10-6-9-25(30-26)23(19-7-4-3-5-8-19)16-29-15-20-18-34-28-21(20)12-14-33-28;/h3-11,13-15,17-18,23H,16H2,1-2H3;/q-1;+2/b29-15+;.

What are the key properties of N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+)?

N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+) has a molecular weight of 502.46 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-phenylethyl]-1-(3H-furo[2,3-b]furan-3-id-4-yl)methanimine;manganese(2+) is sourced from PubChem (CID 162457837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).