cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate)

C44H42CoN8O2 — CID 139181540

IUPACcobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate)
SMILESCCN(CC)c1ccc(-c2nc(-c3ccccn3)c3ccccn23)c([O-])c1.CCN(CC)c1ccc(-c2nc(-c3ccccn3)c3ccccn23)c([O-])c1.[Co+2]
InChIInChI=1S/2C22H22N4O.Co/c2*1-3-25(4-2)16-11-12-17(20(27)15-16)22-24-21(18-9-5-7-13-23-18)19-10-6-8-14-26(19)22;/h2*5-15,27H,3-4H2,1-2H3;/q;;+2/p-2
InChIKeyRDZKZORUKMLQCH-UHFFFAOYSA-L
MW773.81 g/mol
LogP7.96
Rot. Bonds10

About cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate)

cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate) (PubChem CID 139181540) has the molecular formula C44H42CoN8O2 and a molecular weight of 773.81 g/mol. Its IUPAC name is cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate).

Molecular Properties

Compound Namecobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate)
PubChem CID139181540
Molecular FormulaC44H42CoN8O2
Molecular Weight773.81 g/mol
Exact Mass773.28
IUPAC Namecobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate)
SMILESCCN(CC)c1ccc(-c2nc(-c3ccccn3)c3ccccn23)c([O-])c1.CCN(CC)c1ccc(-c2nc(-c3ccccn3)c3ccccn23)c([O-])c1.[Co+2]
InChIInChI=1S/2C22H22N4O.Co/c2*1-3-25(4-2)16-11-12-17(20(27)15-16)22-24-21(18-9-5-7-13-23-18)19-10-6-8-14-26(19)22;/h2*5-15,27H,3-4H2,1-2H3;/q;;+2/p-2
InChIKeyRDZKZORUKMLQCH-UHFFFAOYSA-L
XLogP7.96
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.81
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 139140069
Bis(oxygen(2-));2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate;vanadium
CID 139162542
Dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139166075
Bis(2,4-dichloro-6-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate);iron(2+)
CID 139181539
Dicopper;bis(acetonitrile);bis(2-[[(1-methylbenzimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 168350061
CID 57755207
CID 57755207
2-(10-Hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum
CID 135975679
2-tert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-(N-phenylanilino)phenol;2-methyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-(N-phenylanilino)phenol;2-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]-5-(N-phenylanilino)phenol;2-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]-6-phenyl-4-(N-phenylanilino)phenol;platinum
CID 157102902
2-[1-[2,6-Di(propan-2-yl)phenyl]benzimidazol-2-yl]-6-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-[2,6-di(propan-2-yl)phenyl]-4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]benzimidazol-2-yl]phenol;2-[6-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 157130837
2-[2-[4-(2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;platinum(2+)
CID 157269609
2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenol;2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2H-imidazol-2-id-1-yl]phenol;2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]phenol;2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]-2H-imidazol-2-id-1-yl]phenol;2-[2-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium-3-id-2-yl]benzene-2-id-1-yl]ethyl]-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol;pentakis(platinum(2+))
CID 157441491
Copper;cobalt(2+);platinum;platinum(2+);tris(6,6,15,15-tetramethyl-4,13-diphenyl-4,13,20,22-tetraza-19,21-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5(22),7,9,11,14(20),16-octaene);6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol
CID 157455521

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate)?
The IUPAC name of cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate) (CID 139181540) is cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate).
What is the SMILES notation for cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate)?
The canonical SMILES for cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate) is CCN(CC)c1ccc(-c2nc(-c3ccccn3)c3ccccn23)c([O-])c1.CCN(CC)c1ccc(-c2nc(-c3ccccn3)c3ccccn23)c([O-])c1.[Co+2].
What is the InChIKey of cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate)?
The InChIKey is RDZKZORUKMLQCH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H22N4O.Co/c2*1-3-25(4-2)16-11-12-17(20(27)15-16)22-24-21(18-9-5-7-13-23-18)19-10-6-8-14-26(19)22;/h2*5-15,27H,3-4H2,1-2H3;/q;;+2/p-2.
What are the key properties of cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate)?
cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate) has a molecular weight of 773.81 g/mol, XLogP of 7.96, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate) is sourced from PubChem (CID 139181540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).