tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc

C72H88N8Zn2 — CID 139116950

About tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc

tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc (PubChem CID 139116950) has the molecular formula C72H88N8Zn2 and a molecular weight of 1196.33 g/mol. Its IUPAC name is tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc.

Molecular Properties

• Compound Name: tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
• PubChem CID: 139116950
• Molecular Formula: C72H88N8Zn2
• Molecular Weight: 1196.33 g/mol
• Exact Mass: 1192.57
• IUPAC Name: tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
• SMILES: CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.[Zn].[Zn]
• InChI: InChI=1S/4C18H22N2.2Zn/c4*1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15;;/h4*5-14H,1-4H3;;/b4*20-12+
• InChIKey: FTMFGMMSOJURLZ-YMLOTSGLSA-N
• XLogP: 20.31
• TPSA: 101.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1196.33
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc?

The IUPAC name of tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc (CID 139116950) is tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc.

What is the SMILES notation for tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc?

The canonical SMILES for tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc is CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.[Zn].[Zn].

What is the InChIKey of tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc?

The InChIKey is FTMFGMMSOJURLZ-YMLOTSGLSA-N. The full InChI is InChI=1S/4C18H22N2.2Zn/c4*1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15;;/h4*5-14H,1-4H3;;/b4*20-12+;;.

What are the key properties of tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc?

tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc has a molecular weight of 1196.33 g/mol, XLogP of 20.31, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc is sourced from PubChem (CID 139116950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).