bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)

C150H216Co4N32+10 — CID 159921335

IUPACbis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.[Co+2].[Co+2].[Co+3].[Co+3].c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1
InChIInChI=1S/8C13H10N4.2C3H8.20C2H6.4Co/c8*1-2-8-14-11(5-1)12-6-3-7-13(16-12)17-10-4-9-15-17;2*1-3-2;20*1-2;;;;/h8*1-10H;2*3H2,1-2H3;20*1-2H3;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2;2*+3
InChIKeyNYKYEIANNDDECU-UHFFFAOYSA-N
MW2703.33 g/mol
LogP41.98
Rot. Bonds16

About bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)

bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine) (PubChem CID 159921335) has the molecular formula C150H216Co4N32+10 and a molecular weight of 2703.33 g/mol. Its IUPAC name is bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine).

Molecular Properties

Compound Namebis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)
PubChem CID159921335
Molecular FormulaC150H216Co4N32+10
Molecular Weight2703.33 g/mol
Exact Mass2701.52
IUPAC Namebis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.[Co+2].[Co+2].[Co+3].[Co+3].c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1
InChIInChI=1S/8C13H10N4.2C3H8.20C2H6.4Co/c8*1-2-8-14-11(5-1)12-6-3-7-13(16-12)17-10-4-9-15-17;2*1-3-2;20*1-2;;;;/h8*1-10H;2*3H2,1-2H3;20*1-2H3;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2;2*+3
InChIKeyNYKYEIANNDDECU-UHFFFAOYSA-N
XLogP41.98
TPSA348.80 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002703.33
LogP ≤ 541.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)?
The IUPAC name of bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine) (CID 159921335) is bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine).
What is the SMILES notation for bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)?
The canonical SMILES for bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.[Co+2].[Co+2].[Co+3].[Co+3].c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.
What is the InChIKey of bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)?
The InChIKey is NYKYEIANNDDECU-UHFFFAOYSA-N. The full InChI is InChI=1S/8C13H10N4.2C3H8.20C2H6.4Co/c8*1-2-8-14-11(5-1)12-6-3-7-13(16-12)17-10-4-9-15-17;2*1-3-2;20*1-2;;;;/h8*1-10H;2*3H2,1-2H3;20*1-2H3;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2;2*+3.
What are the key properties of bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)?
bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine) has a molecular weight of 2703.33 g/mol, XLogP of 41.98, 16 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(2+));bis(cobalt(3+));ethane;propane;octakis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine) is sourced from PubChem (CID 159921335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).