N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride

C58H67Cl5N18 — CID 158211337

IUPACN-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride
SMILESCl.Cl.Cn1cc[n+](C)c1/N=N/c1ccc(NCCNc2ccc(/N=N/c3cc[n+](C)cc3)c3ccccc23)cc1.Cn1cc[n+](C)c1/N=N/c1ccc(NCCNc2cccc3ccccc23)cc1.Cn1ccc(=NN)cc1.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C29H29N9.C23H24N6.C6H9N3.5ClH/c1-36-18-14-24(15-19-36)32-34-28-13-12-27(25-6-4-5-7-26(25)28)31-17-16-30-22-8-10-23(11-9-22)33-35-29-37(2)20-21-38(29)3;1-28-16-17-29(2)23(28)27-26-20-12-10-19(11-13-20)24-14-15-25-22-9-5-7-18-6-3-4-8-21(18)22;1-9-4-2-6(8-7)3-5-9;;;;;/h4-15,18-21H,16-17H2,1-3H3;3-13,16-17,25H,14-15H2,1-2H3;2-5H,7H2,1H3;5*1H
InChIKeyLGTSLFWXUJQRQA-UHFFFAOYSA-N
MW1193.56 g/mol
LogP2.78
Rot. Bonds16

About N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride

N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride (PubChem CID 158211337) has the molecular formula C58H67Cl5N18 and a molecular weight of 1193.56 g/mol. Its IUPAC name is N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride.

Molecular Properties

Compound NameN-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride
PubChem CID158211337
Molecular FormulaC58H67Cl5N18
Molecular Weight1193.56 g/mol
Exact Mass1190.42
IUPAC NameN-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride
SMILESCl.Cl.Cn1cc[n+](C)c1/N=N/c1ccc(NCCNc2ccc(/N=N/c3cc[n+](C)cc3)c3ccccc23)cc1.Cn1cc[n+](C)c1/N=N/c1ccc(NCCNc2cccc3ccccc23)cc1.Cn1ccc(=NN)cc1.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C29H29N9.C23H24N6.C6H9N3.5ClH/c1-36-18-14-24(15-19-36)32-34-28-13-12-27(25-6-4-5-7-26(25)28)31-17-16-30-22-8-10-23(11-9-22)33-35-29-37(2)20-21-38(29)3;1-28-16-17-29(2)23(28)27-26-20-12-10-19(11-13-20)24-14-15-25-22-9-5-7-18-6-3-4-8-21(18)22;1-9-4-2-6(8-7)3-5-9;;;;;/h4-15,18-21H,16-17H2,1-3H3;3-13,16-17,25H,14-15H2,1-2H3;2-5H,7H2,1H3;5*1H
InChIKeyLGTSLFWXUJQRQA-UHFFFAOYSA-N
XLogP2.78
TPSA187.09 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.56
LogP ≤ 52.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride?
The IUPAC name of N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride (CID 158211337) is N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride.
What is the SMILES notation for N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride?
The canonical SMILES for N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride is Cl.Cl.Cn1cc[n+](C)c1/N=N/c1ccc(NCCNc2ccc(/N=N/c3cc[n+](C)cc3)c3ccccc23)cc1.Cn1cc[n+](C)c1/N=N/c1ccc(NCCNc2cccc3ccccc23)cc1.Cn1ccc(=NN)cc1.[Cl-].[Cl-].[Cl-].
What is the InChIKey of N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride?
The InChIKey is LGTSLFWXUJQRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N9.C23H24N6.C6H9N3.5ClH/c1-36-18-14-24(15-19-36)32-34-28-13-12-27(25-6-4-5-7-26(25)28)31-17-16-30-22-8-10-23(11-9-22)33-35-29-37(2)20-21-38(29)3;1-28-16-17-29(2)23(28)27-26-20-12-10-19(11-13-20)24-14-15-25-22-9-5-7-18-6-3-4-8-21(18)22;1-9-4-2-6(8-7)3-5-9;;;;;/h4-15,18-21H,16-17H2,1-3H3;3-13,16-17,25H,14-15H2,1-2H3;2-5H,7H2,1H3;5*1H.
What are the key properties of N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride?
N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride has a molecular weight of 1193.56 g/mol, XLogP of 2.78, 16 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride is sourced from PubChem (CID 158211337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).