N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine

C28H28N4 — CID 101384973

About N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine

N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine (PubChem CID 101384973) has the molecular formula C28H28N4 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine.

Molecular Properties

• Compound Name: N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine
• PubChem CID: 101384973
• Molecular Formula: C28H28N4
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.23
• IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine
• SMILES: CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc(-c3ccccn3)n2)n1
• InChI: InChI=1S/C28H28N4/c1-19(2)22-11-8-12-23(20(3)4)28(22)30-18-21-10-7-14-26(31-21)27-16-9-15-25(32-27)24-13-5-6-17-29-24/h5-20H,1-4H3/b30-18+
• InChIKey: YDYPEKDMIBLYSJ-UXHLAJHPSA-N
• XLogP: 7.20
• TPSA: 51.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine?

The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine (CID 101384973) is N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine.

What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine?

The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc(-c3ccccn3)n2)n1.

What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine?

The InChIKey is YDYPEKDMIBLYSJ-UXHLAJHPSA-N. The full InChI is InChI=1S/C28H28N4/c1-19(2)22-11-8-12-23(20(3)4)28(22)30-18-21-10-7-14-26(31-21)27-16-9-15-25(32-27)24-13-5-6-17-29-24/h5-20H,1-4H3/b30-18+.

What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine?

N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine has a molecular weight of 420.56 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine is sourced from PubChem (CID 101384973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).