About tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide
tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide (PubChem CID 139180828) has the molecular formula C52H48I24N20Ni2
and a molecular weight of 4116.18 g/mol. Its IUPAC name is tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide.
Molecular Properties
| Compound Name | tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide |
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| PubChem CID | 139180828 |
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| Molecular Formula | C52H48I24N20Ni2 |
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| Molecular Weight | 4116.18 g/mol |
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| Exact Mass | 4114.02 |
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| IUPAC Name | tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide |
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| SMILES | C(=N/Nc1cccc(-c2cccc(N/N=C/c3ccccn3)n2)n1)\c1ccccn1.C(=NNc1cccc(-c2cccc(N/N=C/c3ccccn3)n2)n1)c1ccccn1.CC#N.CC#N.CC#N.CC#N.II.II.II.II.II.II.I[I-]I.I[I-]I.I[I-]I.I[I-]I.[Ni+2].[Ni+2] |
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| InChI | InChI=1S/2C22H18N8.4C2H3N.4I3.6I2.2Ni/c2*1-3-13-23-17(7-1)15-25-29-21-11-5-9-19(27-21)20-10-6-12-22(28-20)30-26-16-18-8-2-4-14-24-18;4*1-2-3;4*1-3-2;6*1-2;;/h2*1-16H,(H,27,29)(H,28,30);4*1H3;;;;;;;;;;;;/q;;;;;;4*-1;;;;;;;2*+2/b25-15+,26-16?;25-15+,26-16+;;;;;;;;;;;;;;;; |
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| InChIKey | RHXVEPXBOTUIED-ORBJAQSMSA-N |
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| XLogP | 15.50 |
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| TPSA | 295.84 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 20 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 98 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 4116.18 |
| LogP ≤ 5 | 15.50 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Analyze tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide with MolForge
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Frequently Asked Questions
What is the IUPAC name of tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide?
The IUPAC name of tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide (CID 139180828) is tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide.
What is the SMILES notation for tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide?
The canonical SMILES for tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide is C(=N/Nc1cccc(-c2cccc(N/N=C/c3ccccn3)n2)n1)\c1ccccn1.C(=NNc1cccc(-c2cccc(N/N=C/c3ccccn3)n2)n1)c1ccccn1.CC#N.CC#N.CC#N.CC#N.II.II.II.II.II.II.I[I-]I.I[I-]I.I[I-]I.I[I-]I.[Ni+2].[Ni+2].
What is the InChIKey of tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide?
The InChIKey is RHXVEPXBOTUIED-ORBJAQSMSA-N. The full InChI is InChI=1S/2C22H18N8.4C2H3N.4I3.6I2.2Ni/c2*1-3-13-23-17(7-1)15-25-29-21-11-5-9-19(27-21)20-10-6-12-22(28-20)30-26-16-18-8-2-4-14-24-18;4*1-2-3;4*1-3-2;6*1-2;;/h2*1-16H,(H,27,29)(H,28,30);4*1H3;;;;;;;;;;;;/q;;;;;;4*-1;;;;;;;2*+2/b25-15+,26-16?;25-15+,26-16+;;;;;;;;;;;;;;;;.
What are the key properties of tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide?
tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide has a molecular weight of 4116.18 g/mol, XLogP of 15.50, 14 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(acetonitrile);hexakis(molecular iodine);bis(nickel(2+));bis(N-[(E)-pyridin-2-ylmethylideneamino]-6-[6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2-pyridinyl]pyridin-2-amine);tetratriiodide is sourced from PubChem (CID 139180828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).