pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+))

C200H180Fe5N30+10 — CID 53470414

About pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+))

pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+)) (PubChem CID 53470414) has the molecular formula C200H180Fe5N30+10 and a molecular weight of 3283.07 g/mol. Its IUPAC name is pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+)).

Molecular Properties

• Compound Name: pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+))
• PubChem CID: 53470414
• Molecular Formula: C200H180Fe5N30+10
• Molecular Weight: 3283.07 g/mol
• Exact Mass: 3281.17
• IUPAC Name: pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+))
• SMILES: C(=NCc1ccccc1)c1ccc(CCc2ccc(-c3ccc(CCc4ccc(/C=N/Cc5ccccc5)nc4)cn3)nc2)cn1.C(=NCc1ccccc1)c1ccc(CCc2ccc(-c3ccc(CCc4ccc(/C=N/Cc5ccccc5)nc4)cn3)nc2)cn1.C(=NCc1ccccc1)c1ccc(CCc2ccc(-c3ccc(CCc4ccc(/C=N\Cc5ccccc5)nc4)cn3)nc2)cn1.C(=NCc1ccccc1)c1ccc(CCc2ccc(-c3ccc(CCc4ccc(C=NCc5ccccc5)nc4)cn3)nc2)cn1.C(=NCc1ccccc1)c1ccc(CCc2ccc(-c3ccc(CCc4ccc(C=NCc5ccccc5)nc4)cn3)nc2)cn1.[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2]
• InChI: InChI=1S/5C40H36N6.5Fe/c5*1-3-7-31(8-4-1)23-41-29-37-19-15-33(25-43-37)11-13-35-17-21-39(45-27-35)40-22-18-36(28-46-40)14-12-34-16-20-38(44-26-34)30-42-24-32-9-5-2-6-10-32;;;;;/h5*1-10,15-22,25-30H,11-14,23-24H2;;;;;/q;;;;;5*+2/b2*41-29+,42-30?
• InChIKey: FSJXPKSEAOEZIH-NIMLFOSXSA-N
• XLogP: 38.70
• TPSA: 381.40 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 65
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3283.07
LogP ≤ 5	38.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+))?

The IUPAC name of pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+)) (CID 53470414) is pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+)).

What is the SMILES notation for pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+))?

The canonical SMILES for pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+)) is C(=NCc1ccccc1)c1ccc(CCc2ccc(-c3ccc(CCc4ccc(/C=N/Cc5ccccc5)nc4)cn3)nc2)cn1.C(=NCc1ccccc1)c1ccc(CCc2ccc(-c3ccc(CCc4ccc(/C=N/Cc5ccccc5)nc4)cn3)nc2)cn1.C(=NCc1ccccc1)c1ccc(CCc2ccc(-c3ccc(CCc4ccc(/C=N\Cc5ccccc5)nc4)cn3)nc2)cn1.C(=NCc1ccccc1)c1ccc(CCc2ccc(-c3ccc(CCc4ccc(C=NCc5ccccc5)nc4)cn3)nc2)cn1.C(=NCc1ccccc1)c1ccc(CCc2ccc(-c3ccc(CCc4ccc(C=NCc5ccccc5)nc4)cn3)nc2)cn1.[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].

What is the InChIKey of pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+))?

The InChIKey is FSJXPKSEAOEZIH-NIMLFOSXSA-N. The full InChI is InChI=1S/5C40H36N6.5Fe/c5*1-3-7-31(8-4-1)23-41-29-37-19-15-33(25-43-37)11-13-35-17-21-39(45-27-35)40-22-18-36(28-46-40)14-12-34-16-20-38(44-26-34)30-42-24-32-9-5-2-6-10-32;;;;;/h5*1-10,15-22,25-30H,11-14,23-24H2;;;;;/q;;;;;5*+2/b2*41-29+,42-30?;;;;;;;;.

What are the key properties of pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+))?

pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+)) has a molecular weight of 3283.07 g/mol, XLogP of 38.70, 65 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+)) is sourced from PubChem (CID 53470414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).