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

C109H130BrCoN58O42S8- — CID 172929675

About 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

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 (PubChem CID 172929675) has the molecular formula C109H130BrCoN58O42S8- and a molecular weight of 3319.98 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 172929675
• Molecular Formula: C109H130BrCoN58O42S8-
• Molecular Weight: 3319.98 g/mol
• Exact Mass: 3316.61
• IUPAC Name: 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
• SMILES: CCC1(C)C(/C=C/c2ccc(N(C)C)cc2OC)=[N+](C)c2ccc(Br)cc21.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.O.O.O.O.O.O.O.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.[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
• InChI: InChI=1S/C23H28BrN2O.5C9H6N4O4S.4C7H7N3O2.3C3H4N4O2S.4CH5N3.Co.7H2O/c1-7-23(2)19-14-17(24)10-12-20(19)26(5)22(23)13-9-16-8-11-18(25(3)4)15-21(16)27-6;5*14-5-1-2-6(7(15)3-5)11-12-9-10-4-8(18-9)13(16)17;4*8-4-9-10-6-2-1-5(11)3-7(6)12;3*4-6-3-5-1-2(10-3)7(8)9;4*2-1-4-3;;;;;;;;/h8-15H,7H2,1-6H3;2*1-4H,(H2,10,12,14,15);3*1-4,14-15H;4*1-4,8,11-12H;3*1H,4H2,(H,5,6);4*1H,3H2,(H2,2,4);;7*1H2/q+1;;;;;;;;;;;;;;;;;;;;;;;;/p-2/b;;;3*12-11+;4*8-4+,10-9+
• InChIKey: YQMGIQLCLCNKDI-INVNTUAGSA-L
• XLogP: 12.95
• TPSA: 1734.09 Ų
• H-Bond Donors: 34
• H-Bond Acceptors: 82
• Rotatable Bonds: 32
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3319.98
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	82

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCC1(C)C(/C=C/c2ccc(N(C)C)cc2OC)=[N+](C)c2ccc(Br)cc21.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.O.O.O.O.O.O.O.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.[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.

What is the InChIKey of 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?

The InChIKey is YQMGIQLCLCNKDI-INVNTUAGSA-L. The full InChI is InChI=1S/C23H28BrN2O.5C9H6N4O4S.4C7H7N3O2.3C3H4N4O2S.4CH5N3.Co.7H2O/c1-7-23(2)19-14-17(24)10-12-20(19)26(5)22(23)13-9-16-8-11-18(25(3)4)15-21(16)27-6;5*14-5-1-2-6(7(15)3-5)11-12-9-10-4-8(18-9)13(16)17;4*8-4-9-10-6-2-1-5(11)3-7(6)12;3*4-6-3-5-1-2(10-3)7(8)9;4*2-1-4-3;;;;;;;;/h8-15H,7H2,1-6H3;2*1-4H,(H2,10,12,14,15);3*1-4,14-15H;4*1-4,8,11-12H;3*1H,4H2,(H,5,6);4*1H,3H2,(H2,2,4);;7*1H2/q+1;;;;;;;;;;;;;;;;;;;;;;;;/p-2/b;;;3*12-11+;4*8-4+,10-9+;;;;;;;;;;;;;;;.

What are the key properties of 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?

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 has a molecular weight of 3319.98 g/mol, XLogP of 12.95, 32 rotatable bonds, 34 hydrogen bond donors, and 82 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 172929675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).