octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one)

C264H338CoN116O83S16 — CID 172962338

IUPACoctakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCC[N+]1=C(/C=C/c2ccc(N(CC)CC)cc2OC)C(C)(CC)c2ccccc21.CCN(CC)c1ccc(/C=C/C2=[N+](CC)c3ccccc3C2(C)CC)c(OC)c1.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.O=C1C=CC(=NN=c2[n-]cc([N+](=O)[O-])s2)C(O)=C1.O=C1C=CC(=NN=c2[n-]cc([N+](=O)[O-])s2)C(O)=C1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.[Co].[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O
InChIInChI=1S/C27H37N2O.C26H35N2O.9C9H6N4O4S.8C7H7N3O2.7C3H4N4O2S.15C3H6O.8CH5N3.Co/c1-7-19-29-24-14-12-11-13-23(24)27(5,8-2)26(29)18-16-21-15-17-22(20-25(21)30-6)28(9-3)10-4;1-7-26(5)22-13-11-12-14-23(22)28(10-4)25(26)18-16-20-15-17-21(19-24(20)29-6)27(8-2)9-3;9*14-5-1-2-6(7(15)3-5)11-12-9-10-4-8(18-9)13(16)17;8*8-4-9-10-6-2-1-5(11)3-7(6)12;7*4-6-3-5-1-2(10-3)7(8)9;15*1-3(2)4;8*2-1-4-3;/h11-18,20H,7-10,19H2,1-6H3;11-19H,7-10H2,1-6H3;2*1-4H,(H2,10,12,14,15);7*1-4,14-15H;8*1-4,8,11-12H;7*1H,4H2,(H,5,6);15*1-2H3;8*1H,3H2,(H2,2,4);/q2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-2/b;;;;7*12-11+;8*8-4+,10-9+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyZLNBAJOYVNLJSM-XLMHQGSYSA-L
MW7036.34 g/mol
LogP49.89
Rot. Bonds72

About octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one)

octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one) (PubChem CID 172962338) has the molecular formula C264H338CoN116O83S16 and a molecular weight of 7036.34 g/mol. Its IUPAC name is octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one).

Molecular Properties

Compound Nameoctakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one)
PubChem CID172962338
Molecular FormulaC264H338CoN116O83S16
Molecular Weight7036.34 g/mol
Exact Mass7031.07
IUPAC Nameoctakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCC[N+]1=C(/C=C/c2ccc(N(CC)CC)cc2OC)C(C)(CC)c2ccccc21.CCN(CC)c1ccc(/C=C/C2=[N+](CC)c3ccccc3C2(C)CC)c(OC)c1.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.O=C1C=CC(=NN=c2[n-]cc([N+](=O)[O-])s2)C(O)=C1.O=C1C=CC(=NN=c2[n-]cc([N+](=O)[O-])s2)C(O)=C1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.[Co].[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O
InChIInChI=1S/C27H37N2O.C26H35N2O.9C9H6N4O4S.8C7H7N3O2.7C3H4N4O2S.15C3H6O.8CH5N3.Co/c1-7-19-29-24-14-12-11-13-23(24)27(5,8-2)26(29)18-16-21-15-17-22(20-25(21)30-6)28(9-3)10-4;1-7-26(5)22-13-11-12-14-23(22)28(10-4)25(26)18-16-20-15-17-21(19-24(20)29-6)27(8-2)9-3;9*14-5-1-2-6(7(15)3-5)11-12-9-10-4-8(18-9)13(16)17;8*8-4-9-10-6-2-1-5(11)3-7(6)12;7*4-6-3-5-1-2(10-3)7(8)9;15*1-3(2)4;8*2-1-4-3;/h11-18,20H,7-10,19H2,1-6H3;11-19H,7-10H2,1-6H3;2*1-4H,(H2,10,12,14,15);7*1-4,14-15H;8*1-4,8,11-12H;7*1H,4H2,(H,5,6);15*1-2H3;8*1H,3H2,(H2,2,4);/q2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-2/b;;;;7*12-11+;8*8-4+,10-9+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyZLNBAJOYVNLJSM-XLMHQGSYSA-L
XLogP49.89
TPSA3260.00 Ų
H-Bond Donors70
H-Bond Acceptors179
Rotatable Bonds72
Heavy Atoms480
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007036.34
LogP ≤ 549.89
H-Bond Donors ≤ 570
H-Bond Acceptors ≤ 10179

Analyze octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one) with MolForge

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Related Compounds

tetrakis(N'-aminomethanimidamide);4-[(E)-2-(5-chloro-3-ethyl-1,3-dimethylindol-1-ium-2-yl)ethenyl]-3-ethoxy-N,N-diethylaniline;cobalt;tetrakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);tris(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);tris((5-nitro-1,3-thiazol-2-yl)hydrazine);heptahydrate
CID 172956432
octakis(N'-aminomethanimidamide);3-chloro-4-[(E)-2-(5-chloro-3-ethyl-1,3-dimethylindol-1-ium-2-yl)ethenyl]-N,N-diethylaniline;cobalt;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one)
CID 172928557
tetrakis(N'-aminomethanimidamide);4-[(E)-2-(5-bromo-3-ethyl-1,3-dimethylindol-1-ium-2-yl)ethenyl]-3-methoxy-N,N-dimethylaniline;cobalt;tetrakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);tris(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);tris((5-nitro-1,3-thiazol-2-yl)hydrazine);heptahydrate
CID 172929675
cobalt;N,N-diethyl-4-[(E)-2-[3-ethyl-3-methyl-1-[(3,4,5-trifluorophenyl)methyl]indol-1-ium-2-yl]ethenyl]-3-methoxyaniline;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one)
CID 159918084
cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-5-fluoro-1,3-dimethylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one)
CID 162080788
4-[(E)-2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-N,N-diethylaniline;cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one)
CID 159867278
cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium
CID 161265929
N,N-diethyl-4-[(E)-2-[3-ethyl-3-methyl-1-[(3,4,5-trifluorophenyl)methyl]indol-1-ium-2-yl]ethenyl]-3-methoxyaniline iodide
CID 161183623
3-ethoxy-N,N-diethyl-4-[(E)-2-(3-ethyl-1,3-dimethylindol-1-ium-2-yl)ethenyl]aniline
CID 58992086
N,N-dibutyl-4-[(E)-2-(3-ethyl-1,3-dimethylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline
CID 59383273
5-(dihexylamino)-2-[(2-methoxy-4-nitrophenyl)diazenyl]phenol
CID 163433155
bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium
CID 171731418

Frequently Asked Questions

What is the IUPAC name of octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one)?
The IUPAC name of octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one) (CID 172962338) is octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one).
What is the SMILES notation for octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one)?
The canonical SMILES for octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one) is CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCC[N+]1=C(/C=C/c2ccc(N(CC)CC)cc2OC)C(C)(CC)c2ccccc21.CCN(CC)c1ccc(/C=C/C2=[N+](CC)c3ccccc3C2(C)CC)c(OC)c1.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.O=C1C=CC(=NN=c2[n-]cc([N+](=O)[O-])s2)C(O)=C1.O=C1C=CC(=NN=c2[n-]cc([N+](=O)[O-])s2)C(O)=C1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.[Co].[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.
What is the InChIKey of octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one)?
The InChIKey is ZLNBAJOYVNLJSM-XLMHQGSYSA-L. The full InChI is InChI=1S/C27H37N2O.C26H35N2O.9C9H6N4O4S.8C7H7N3O2.7C3H4N4O2S.15C3H6O.8CH5N3.Co/c1-7-19-29-24-14-12-11-13-23(24)27(5,8-2)26(29)18-16-21-15-17-22(20-25(21)30-6)28(9-3)10-4;1-7-26(5)22-13-11-12-14-23(22)28(10-4)25(26)18-16-20-15-17-21(19-24(20)29-6)27(8-2)9-3;9*14-5-1-2-6(7(15)3-5)11-12-9-10-4-8(18-9)13(16)17;8*8-4-9-10-6-2-1-5(11)3-7(6)12;7*4-6-3-5-1-2(10-3)7(8)9;15*1-3(2)4;8*2-1-4-3;/h11-18,20H,7-10,19H2,1-6H3;11-19H,7-10H2,1-6H3;2*1-4H,(H2,10,12,14,15);7*1-4,14-15H;8*1-4,8,11-12H;7*1H,4H2,(H,5,6);15*1-2H3;8*1H,3H2,(H2,2,4);/q2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-2/b;;;;7*12-11+;8*8-4+,10-9+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one)?
octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one) has a molecular weight of 7036.34 g/mol, XLogP of 49.89, 72 rotatable bonds, 70 hydrogen bond donors, and 179 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(N'-aminomethanimidamide);cobalt;N,N-diethyl-4-[(E)-2-(3-ethyl-3-methyl-1-propylindol-1-ium-2-yl)ethenyl]-3-methoxyaniline;4-[(E)-2-(1,3-diethyl-3-methylindol-1-ium-2-yl)ethenyl]-N,N-diethyl-3-methoxyaniline;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one) is sourced from PubChem (CID 172962338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).