N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide

C68H86Br4N14 — CID 172961536

IUPACN-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide
SMILESCN(/N=C/c1cc[n+](CCCCCCBr)cc1)c1ccccc1.Cc1cc(N(C)C)cc(C)c1/N=N/c1cc[n+](CCCCCC[n+]2ccc(/C=N\N(C)c3ccccc3)cc2)cc1.Cc1cc(N(C)C)cc(C)c1/N=N/c1ccncc1.[Br-].[Br-].[Br-]
InChIInChI=1S/C34H43N7.C19H25BrN3.C15H18N4.3BrH/c1-28-25-33(38(3)4)26-29(2)34(28)37-36-31-17-23-41(24-18-31)20-12-7-6-11-19-40-21-15-30(16-22-40)27-35-39(5)32-13-9-8-10-14-32;1-22(19-9-5-4-6-10-19)21-17-18-11-15-23(16-12-18)14-8-3-2-7-13-20;1-11-9-14(19(3)4)10-12(2)15(11)18-17-13-5-7-16-8-6-13;;;/h8-10,13-18,21-27H,6-7,11-12,19-20H2,1-5H3;4-6,9-12,15-17H,2-3,7-8,13-14H2,1H3;5-10H,1-4H3;3*1H/q+2;+1;;;;/p-3/b;;18-17+;;;
InChIKeyBZIULJGHIXGNNX-IVZYZUGCSA-K
MW1419.15 g/mol
LogP6.68
Rot. Bonds25

About N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide

N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide (PubChem CID 172961536) has the molecular formula C68H86Br4N14 and a molecular weight of 1419.15 g/mol. Its IUPAC name is N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide.

Molecular Properties

Compound NameN-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide
PubChem CID172961536
Molecular FormulaC68H86Br4N14
Molecular Weight1419.15 g/mol
Exact Mass1414.39
IUPAC NameN-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide
SMILESCN(/N=C/c1cc[n+](CCCCCCBr)cc1)c1ccccc1.Cc1cc(N(C)C)cc(C)c1/N=N/c1cc[n+](CCCCCC[n+]2ccc(/C=N\N(C)c3ccccc3)cc2)cc1.Cc1cc(N(C)C)cc(C)c1/N=N/c1ccncc1.[Br-].[Br-].[Br-]
InChIInChI=1S/C34H43N7.C19H25BrN3.C15H18N4.3BrH/c1-28-25-33(38(3)4)26-29(2)34(28)37-36-31-17-23-41(24-18-31)20-12-7-6-11-19-40-21-15-30(16-22-40)27-35-39(5)32-13-9-8-10-14-32;1-22(19-9-5-4-6-10-19)21-17-18-11-15-23(16-12-18)14-8-3-2-7-13-20;1-11-9-14(19(3)4)10-12(2)15(11)18-17-13-5-7-16-8-6-13;;;/h8-10,13-18,21-27H,6-7,11-12,19-20H2,1-5H3;4-6,9-12,15-17H,2-3,7-8,13-14H2,1H3;5-10H,1-4H3;3*1H/q+2;+1;;;;/p-3/b;;18-17+;;;
InChIKeyBZIULJGHIXGNNX-IVZYZUGCSA-K
XLogP6.68
TPSA111.65 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001419.15
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide 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

1,5-dibromopentane;N-methyl-N-[(E)-[1-[5-[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-yl]methylideneamino]aniline;N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]aniline;dibromide
CID 172971431
N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;2,4-dimethoxy-6-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;3,6-dimethoxy-2-(pyridin-4-yldiazenyl)aniline;tribromide
CID 172985860
N,N-dimethyl-4-[[1-[3-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]aniline dibromide
CID 172919753
N-methyl-N-[(E)-[1-[6-[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline
CID 23117094
N,N-dimethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-2-yl]diazenyl]aniline dichloride
CID 172953453
N-benzyl-N-ethyl-3-methyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline
CID 59000102
methyl 5-(dimethylamino)-2-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]benzoate dibromide
CID 172986944
N-methyl-N-[(E)-(1-pentylpyridin-1-ium-4-yl)methylideneamino]aniline
CID 143565582
N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline
CID 76745592
2-[N-(2-hydroxyethyl)-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-2-yl]diazenyl]anilino]ethanol
CID 59000091
N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline
CID 58637435
N-methyl-N-[(E)-[1-[2-[2-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]methylideneamino]aniline
CID 58121438

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide?
The IUPAC name of N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide (CID 172961536) is N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide.
What is the SMILES notation for N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide?
The canonical SMILES for N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide is CN(/N=C/c1cc[n+](CCCCCCBr)cc1)c1ccccc1.Cc1cc(N(C)C)cc(C)c1/N=N/c1cc[n+](CCCCCC[n+]2ccc(/C=N\N(C)c3ccccc3)cc2)cc1.Cc1cc(N(C)C)cc(C)c1/N=N/c1ccncc1.[Br-].[Br-].[Br-].
What is the InChIKey of N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide?
The InChIKey is BZIULJGHIXGNNX-IVZYZUGCSA-K. The full InChI is InChI=1S/C34H43N7.C19H25BrN3.C15H18N4.3BrH/c1-28-25-33(38(3)4)26-29(2)34(28)37-36-31-17-23-41(24-18-31)20-12-7-6-11-19-40-21-15-30(16-22-40)27-35-39(5)32-13-9-8-10-14-32;1-22(19-9-5-4-6-10-19)21-17-18-11-15-23(16-12-18)14-8-3-2-7-13-20;1-11-9-14(19(3)4)10-12(2)15(11)18-17-13-5-7-16-8-6-13;;;/h8-10,13-18,21-27H,6-7,11-12,19-20H2,1-5H3;4-6,9-12,15-17H,2-3,7-8,13-14H2,1H3;5-10H,1-4H3;3*1H/q+2;+1;;;;/p-3/b;;18-17+;;;.
What are the key properties of N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide?
N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide has a molecular weight of 1419.15 g/mol, XLogP of 6.68, 25 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(6-bromohexyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline;N,N,3,5-tetramethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline;N,N,3,5-tetramethyl-4-(pyridin-4-yldiazenyl)aniline;tribromide is sourced from PubChem (CID 172961536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).