2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel

C26H23N2NiO- — CID 153499003

About 2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel

2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel (PubChem CID 153499003) has the molecular formula C26H23N2NiO- and a molecular weight of 438.18 g/mol. Its IUPAC name is 2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel.

Molecular Properties

• Compound Name: 2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel
• PubChem CID: 153499003
• Molecular Formula: C26H23N2NiO-
• Molecular Weight: 438.18 g/mol
• Exact Mass: 437.12
• IUPAC Name: 2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel
• SMILES: CC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)nc(-c2ccccc2O)c1.[Ni]
• InChI: InChI=1S/C26H23N2O.Ni/c1-26(2,3)20-16-23(28-24(17-20)21-11-4-5-13-25(21)29)19-10-8-9-18(15-19)22-12-6-7-14-27-22;/h4-14,16-17,29H,1-3H3;/q-1
• InChIKey: JCARNUOJSWQKDJ-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.18
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel?

The IUPAC name of 2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel (CID 153499003) is 2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel.

What is the SMILES notation for 2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel?

The canonical SMILES for 2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel is CC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)nc(-c2ccccc2O)c1.[Ni].

What is the InChIKey of 2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel?

The InChIKey is JCARNUOJSWQKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N2O.Ni/c1-26(2,3)20-16-23(28-24(17-20)21-11-4-5-13-25(21)29)19-10-8-9-18(15-19)22-12-6-7-14-27-22;/h4-14,16-17,29H,1-3H3;/q-1;.

What are the key properties of 2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel?

2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel has a molecular weight of 438.18 g/mol, XLogP of 6.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel is sourced from PubChem (CID 153499003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).