tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)

C104H104Co4N40+10 — CID 158524727

IUPACtetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)
SMILESCC(C)(C)c1cc(-n2cccn2)nc(-n2cccn2)c1.CC(C)(C)c1cc(-n2cccn2)nc(-n2cccn2)c1.CC(C)(C)c1cc(-n2cccn2)nc(-n2cccn2)c1.CC(C)(C)c1cc(-n2cccn2)nc(-n2cccn2)c1.[Co+2].[Co+2].[Co+3].[Co+3].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/4C15H17N5.4C11H9N5.4Co/c4*1-15(2,3)12-10-13(19-8-4-6-16-19)18-14(11-12)20-9-5-7-17-20;4*1-4-10(15-8-2-6-12-15)14-11(5-1)16-9-3-7-13-16;;;;/h4*4-11H,1-3H3;4*1-9H;;;;/q;;;;;;;;2*+2;2*+3
InChIKeyHMQPJQVBPNWNTI-UHFFFAOYSA-N
MW2149.99 g/mol
LogP16.80
Rot. Bonds16

About tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)

tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine) (PubChem CID 158524727) has the molecular formula C104H104Co4N40+10 and a molecular weight of 2149.99 g/mol. Its IUPAC name is tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine).

Molecular Properties

Compound Nametetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)
PubChem CID158524727
Molecular FormulaC104H104Co4N40+10
Molecular Weight2149.99 g/mol
Exact Mass2148.66
IUPAC Nametetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)
SMILESCC(C)(C)c1cc(-n2cccn2)nc(-n2cccn2)c1.CC(C)(C)c1cc(-n2cccn2)nc(-n2cccn2)c1.CC(C)(C)c1cc(-n2cccn2)nc(-n2cccn2)c1.CC(C)(C)c1cc(-n2cccn2)nc(-n2cccn2)c1.[Co+2].[Co+2].[Co+3].[Co+3].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/4C15H17N5.4C11H9N5.4Co/c4*1-15(2,3)12-10-13(19-8-4-6-16-19)18-14(11-12)20-9-5-7-17-20;4*1-4-10(15-8-2-6-12-15)14-11(5-1)16-9-3-7-13-16;;;;/h4*4-11H,1-3H3;4*1-9H;;;;/q;;;;;;;;2*+2;2*+3
InChIKeyHMQPJQVBPNWNTI-UHFFFAOYSA-N
XLogP16.80
TPSA388.24 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds16
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002149.99
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

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Frequently Asked Questions

What is the IUPAC name of tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)?
The IUPAC name of tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine) (CID 158524727) is tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine).
What is the SMILES notation for tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)?
The canonical SMILES for tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine) is CC(C)(C)c1cc(-n2cccn2)nc(-n2cccn2)c1.CC(C)(C)c1cc(-n2cccn2)nc(-n2cccn2)c1.CC(C)(C)c1cc(-n2cccn2)nc(-n2cccn2)c1.CC(C)(C)c1cc(-n2cccn2)nc(-n2cccn2)c1.[Co+2].[Co+2].[Co+3].[Co+3].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1.
What is the InChIKey of tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)?
The InChIKey is HMQPJQVBPNWNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H17N5.4C11H9N5.4Co/c4*1-15(2,3)12-10-13(19-8-4-6-16-19)18-14(11-12)20-9-5-7-17-20;4*1-4-10(15-8-2-6-12-15)14-11(5-1)16-9-3-7-13-16;;;;/h4*4-11H,1-3H3;4*1-9H;;;;/q;;;;;;;;2*+2;2*+3.
What are the key properties of tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)?
tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine) has a molecular weight of 2149.99 g/mol, XLogP of 16.80, 16 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine) is sourced from PubChem (CID 158524727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).