cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)

C36H36CoN6O6+2 — CID 140694718

IUPACcobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.[Co+2]
InChIInChI=1S/3C12H12N2O2.Co/c3*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;/h3*3-8H,1-2H3;/q;;;+2
InChIKeyJFIVVMSAGWUMIA-UHFFFAOYSA-N
MW707.65 g/mol
LogP6.48
Rot. Bonds9

About cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)

cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine) (PubChem CID 140694718) has the molecular formula C36H36CoN6O6+2 and a molecular weight of 707.65 g/mol. Its IUPAC name is cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine).

Molecular Properties

Compound Namecobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
PubChem CID140694718
Molecular FormulaC36H36CoN6O6+2
Molecular Weight707.65 g/mol
Exact Mass707.20
IUPAC Namecobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.[Co+2]
InChIInChI=1S/3C12H12N2O2.Co/c3*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;/h3*3-8H,1-2H3;/q;;;+2
InChIKeyJFIVVMSAGWUMIA-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

4-Methoxy-2,6-bis(4-methoxy-2-pyridinyl)pyridine
CID 22133730
[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(N-hexylanilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140701008
[(Z)-1-[4-(dihexylamino)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701150
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);2-[2-[2-[[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-pyridinyl]oxy]ethoxy]ethoxy]ethanol;iridium
CID 171721161
1,2-Bis(2-([2,2':6',2''-terpyridin]-4'-yloxy)ethoxy)ethane
CID 12127307
1,6-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]hexane
CID 15537346
1,2-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]ethane
CID 86062380
1,4-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]butane
CID 101507031
Bis(2,2':6',2''-terpyridine)-4'-oxyhexadecane
CID 129822284
N,N,N',N'-tetrakis(4-propenyloxy-2-pyridylmethyl) ethylenediamine
CID 132281716
Cobalt(2+);bis(4-hexadecoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;bis(tetraphenylboranuide)
CID 139129789
Bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);ditetrafluoroborate
CID 139136726

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)?
The IUPAC name of cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine) (CID 140694718) is cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine).
What is the SMILES notation for cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)?
The canonical SMILES for cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine) is COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.[Co+2].
What is the InChIKey of cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)?
The InChIKey is JFIVVMSAGWUMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12N2O2.Co/c3*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;/h3*3-8H,1-2H3;/q;;;+2.
What are the key properties of cobalt(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)?
cobalt(2+);tris(4-methoxy-2-(4-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(2+);tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine) is sourced from PubChem (CID 140694718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).