bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+)

C40H32N10Ni — CID 164672457

About bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+)

bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+) (PubChem CID 164672457) has the molecular formula C40H32N10Ni and a molecular weight of 711.46 g/mol. Its IUPAC name is bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+).

Molecular Properties

• Compound Name: bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+)
• PubChem CID: 164672457
• Molecular Formula: C40H32N10Ni
• Molecular Weight: 711.46 g/mol
• Exact Mass: 710.22
• IUPAC Name: bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+)
• SMILES: Cc1ccnc(/N=C2/[N-]/C(=N/c3cc(C)ccn3)c3ccccc32)c1.Cc1ccnc(/N=C2/[N-]/C(=N/c3cc(C)ccn3)c3ccccc32)c1.[Ni+2]
• InChI: InChI=1S/2C20H16N5.Ni/c2*1-13-7-9-21-17(11-13)23-19-15-5-3-4-6-16(15)20(25-19)24-18-12-14(2)8-10-22-18;/h2*3-12H,1-2H3;/q2*-1;+2
• InChIKey: UEBWUPHCLCWDLU-UHFFFAOYSA-N
• XLogP: 9.27
• TPSA: 129.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.46
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+)?

The IUPAC name of bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+) (CID 164672457) is bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+).

What is the SMILES notation for bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+)?

The canonical SMILES for bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+) is Cc1ccnc(/N=C2/[N-]/C(=N/c3cc(C)ccn3)c3ccccc32)c1.Cc1ccnc(/N=C2/[N-]/C(=N/c3cc(C)ccn3)c3ccccc32)c1.[Ni+2].

What is the InChIKey of bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+)?

The InChIKey is UEBWUPHCLCWDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16N5.Ni/c2*1-13-7-9-21-17(11-13)23-19-15-5-3-4-6-16(15)20(25-19)24-18-12-14(2)8-10-22-18;/h2*3-12H,1-2H3;/q2*-1;+2.

What are the key properties of bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+)?

bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+) has a molecular weight of 711.46 g/mol, XLogP of 9.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-N,3-N-bis(4-methyl-2-pyridinyl)isoindol-2-ide-1,3-diimine);nickel(2+) is sourced from PubChem (CID 164672457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).