cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium

C90H92Co2N24O21+2 — CID 172950437

IUPACcobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium
SMILESC=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.CC[NH+](CC)CC.COc1ccc(N(C)/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.[Co].[Co]
InChIInChI=1S/C20H24N3O.4C16H13N5O5.C6H15N.2Co/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;4*1-3-6-20-15(23)11(8-17)9(2)14(16(20)24)19-18-12-7-10(21(25)26)4-5-13(12)22;1-4-7(5-2)6-3;;/h6-14H,1-5H3;4*3-5,7,22,24H,1,6H2,2H3;4-6H2,1-3H3;;/q+1;;;;;;;/p+1/b;4*19-18-;;;
InChIKeyCOWALMCOIXXLAR-MIEFXRAASA-O
MW1963.74 g/mol
LogP15.55
Rot. Bonds27

About cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium

cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium (PubChem CID 172950437) has the molecular formula C90H92Co2N24O21+2 and a molecular weight of 1963.74 g/mol. Its IUPAC name is cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium.

Molecular Properties

Compound Namecobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium
PubChem CID172950437
Molecular FormulaC90H92Co2N24O21+2
Molecular Weight1963.74 g/mol
Exact Mass1962.55
IUPAC Namecobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium
SMILESC=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.CC[NH+](CC)CC.COc1ccc(N(C)/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.[Co].[Co]
InChIInChI=1S/C20H24N3O.4C16H13N5O5.C6H15N.2Co/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;4*1-3-6-20-15(23)11(8-17)9(2)14(16(20)24)19-18-12-7-10(21(25)26)4-5-13(12)22;1-4-7(5-2)6-3;;/h6-14H,1-5H3;4*3-5,7,22,24H,1,6H2,2H3;4-6H2,1-3H3;;/q+1;;;;;;;/p+1/b;4*19-18-;;;
InChIKeyCOWALMCOIXXLAR-MIEFXRAASA-O
XLogP15.55
TPSA648.72 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds27
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001963.74
LogP ≤ 515.55
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone
CID 172955624
1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole
CID 159280339
6-hydroxy-4-methyl-5-[(3-nitrophenyl)iminomethyl]-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 135668354
5-[(2-chloro-4-nitrophenyl)diazenyl]-2-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835942
2-[(3-benzyl-1,3-dimethylindol-2-ylidene)methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;1-butyl-5-[(4,5-diisocyanoimidazol-3-id-2-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;2-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]imidazol-3-ide-4,5-dicarbonitrile;cobalt;cobalt(2+);2-[[1-[4-[3,3-dimethyl-2-[(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)methylidene]indol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]methyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium
CID 159113941
1-N,3-N-dimethyl-1-N,3-N-bis[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]benzene-1,3-diamine
CID 42631548
3-[2-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonic acid
CID 152762920
4-[2-[(E)-[(4-methoxyphenyl)-methylhydrazinylidene]methyl]-3,3-dimethylindol-1-ium-1-yl]butane-1-sulfonic acid
CID 87599612
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835241
1-hexyl-2-hydroxy-4-methyl-5-[(2-methyl-5-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835884
6-hydroxy-4-methyl-2-oxo-5-[(N-phenylanilino)methyl]-1-prop-2-enylpyridine-3-carbonitrile
CID 50884981
1-ethyl-6-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)iminomethyl]-2-oxopyridine-3-carbonitrile
CID 135668889

Frequently Asked Questions

What is the IUPAC name of cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium?
The IUPAC name of cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium (CID 172950437) is cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium.
What is the SMILES notation for cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium?
The canonical SMILES for cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium is C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.CC[NH+](CC)CC.COc1ccc(N(C)/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.[Co].[Co].
What is the InChIKey of cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium?
The InChIKey is COWALMCOIXXLAR-MIEFXRAASA-O. The full InChI is InChI=1S/C20H24N3O.4C16H13N5O5.C6H15N.2Co/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;4*1-3-6-20-15(23)11(8-17)9(2)14(16(20)24)19-18-12-7-10(21(25)26)4-5-13(12)22;1-4-7(5-2)6-3;;/h6-14H,1-5H3;4*3-5,7,22,24H,1,6H2,2H3;4-6H2,1-3H3;;/q+1;;;;;;;/p+1/b;4*19-18-;;;.
What are the key properties of cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium?
cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium has a molecular weight of 1963.74 g/mol, XLogP of 15.55, 27 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;triethylazanium is sourced from PubChem (CID 172950437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).