bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+)

C42H52CoN8+3 — CID 140695196

IUPACbis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+)
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(-n3cccn3)n2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(-n3cccn3)n2)c1.[Co+3]
InChIInChI=1S/2C21H26N4.Co/c2*1-20(2,3)15-8-10-22-17(12-15)18-13-16(21(4,5)6)14-19(24-18)25-11-7-9-23-25;/h2*7-14H,1-6H3;/q;;+3
InChIKeyGYUUZOMAJZNOQQ-UHFFFAOYSA-N
MW727.87 g/mol
LogP9.85
Rot. Bonds4

About bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+)

bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+) (PubChem CID 140695196) has the molecular formula C42H52CoN8+3 and a molecular weight of 727.87 g/mol. Its IUPAC name is bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+).

Molecular Properties

Compound Namebis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+)
PubChem CID140695196
Molecular FormulaC42H52CoN8+3
Molecular Weight727.87 g/mol
Exact Mass727.36
IUPAC Namebis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+)
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(-n3cccn3)n2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(-n3cccn3)n2)c1.[Co+3]
InChIInChI=1S/2C21H26N4.Co/c2*1-20(2,3)15-8-10-22-17(12-15)18-13-16(21(4,5)6)14-19(24-18)25-11-7-9-23-25;/h2*7-14H,1-6H3;/q;;+3
InChIKeyGYUUZOMAJZNOQQ-UHFFFAOYSA-N
XLogP9.85
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+)?
The IUPAC name of bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+) (CID 140695196) is bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+).
What is the SMILES notation for bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+)?
The canonical SMILES for bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+) is CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(-n3cccn3)n2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(-n3cccn3)n2)c1.[Co+3].
What is the InChIKey of bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+)?
The InChIKey is GYUUZOMAJZNOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H26N4.Co/c2*1-20(2,3)15-8-10-22-17(12-15)18-13-16(21(4,5)6)14-19(24-18)25-11-7-9-23-25;/h2*7-14H,1-6H3;/q;;+3.
What are the key properties of bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+)?
bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+) has a molecular weight of 727.87 g/mol, XLogP of 9.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)-6-pyrazol-1-ylpyridine);cobalt(3+) is sourced from PubChem (CID 140695196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).