cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)

C36H36CoN6O6+3 — CID 140694726

IUPACcobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)
SMILESCOc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.[Co+3]
InChIInChI=1S/3C12H12N2O2.Co/c3*1-15-9-5-3-7-13-11(9)12-10(16-2)6-4-8-14-12;/h3*3-8H,1-2H3;/q;;;+3
InChIKeyBGAIROVWZWBYBR-UHFFFAOYSA-N
MW707.65 g/mol
LogP6.48
Rot. Bonds9

About cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)

cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine) (PubChem CID 140694726) has the molecular formula C36H36CoN6O6+3 and a molecular weight of 707.65 g/mol. Its IUPAC name is cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine).

Molecular Properties

Compound Namecobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)
PubChem CID140694726
Molecular FormulaC36H36CoN6O6+3
Molecular Weight707.65 g/mol
Exact Mass707.20
IUPAC Namecobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)
SMILESCOc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.[Co+3]
InChIInChI=1S/3C12H12N2O2.Co/c3*1-15-9-5-3-7-13-11(9)12-10(16-2)6-4-8-14-12;/h3*3-8H,1-2H3;/q;;;+3
InChIKeyBGAIROVWZWBYBR-UHFFFAOYSA-N
XLogP6.48
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500707.65
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

CID 58621543
CID 58621543
LZn,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-phenylethyl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731915
DFe,HHT-tris{(R)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(3-benzyloxypyridin-6-yl)methanimine}diiron(II) tetrachloride
CID 75731919
LZn,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-[4-methoxyphenyl]ethyl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731936
LFe,HHT-tris{(S)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(3-benzyloxypyridin-6-yl)methanimine}diiron(II) tetrachloride
CID 75731938
DFe,HHT-tris{(S)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-phenylethyl)methanimine}diiron(II) tetrachloride
CID 75731941
DFe,HHT-tris{(S)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-[4-methoxyphenyl]ethyl)methanimine}diiron(II) tetrachloride
CID 75731949
DFe,HHT-tris{(R)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(3-methoxypyridin-6-yl)methanimine}diiron(II) tetrachloride
CID 75731952
LFe,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-[4-methoxyphenyl]ethyl)methanimine}diiron(II) tetrachloride
CID 75731953
LFe,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-phenylethyl)methanimine}diiron(II) tetrachloride
CID 75731954
LFe,HHT-tris{(S)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(3-methoxypyridin-6-yl)methanimine}diiron(II) tetrachloride
CID 75731957
DZn,HHT-tris{(R)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(3-methoxypyridin-6-yl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731958

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)?
The IUPAC name of cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine) (CID 140694726) is cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine).
What is the SMILES notation for cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)?
The canonical SMILES for cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine) is COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.[Co+3].
What is the InChIKey of cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)?
The InChIKey is BGAIROVWZWBYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12N2O2.Co/c3*1-15-9-5-3-7-13-11(9)12-10(16-2)6-4-8-14-12;/h3*3-8H,1-2H3;/q;;;+3.
What are the key properties of cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)?
cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine) has a molecular weight of 707.65 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine) is sourced from PubChem (CID 140694726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).