dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine

C123H127Br2Cl8Fe5N15 — CID 157424299

About dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine

dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine (PubChem CID 157424299) has the molecular formula C123H127Br2Cl8Fe5N15 and a molecular weight of 2538.13 g/mol. Its IUPAC name is dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine.

Molecular Properties

• Compound Name: dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine
• PubChem CID: 157424299
• Molecular Formula: C123H127Br2Cl8Fe5N15
• Molecular Weight: 2538.13 g/mol
• Exact Mass: 2531.30
• IUPAC Name: dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine
• SMILES: Br[Fe]Br.C/C(=N\c1ccc(C)cc1C)c1cccc(/C(C)=N/c2ccc(C)cc2C)n1.C/C(=N\c1cccc2c1CCCC2)c1cccc(/C(C)=N/c2cccc3c2CCCC3)n1.C/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2)n1.C/C(=N\c1ccccc1C)c1cccc(/C(C)=N/c2ccccc2C)n1.CCc1ccccc1/N=C(\C)c1cccc(/C(C)=N/c2ccccc2CC)n1.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl
• InChI: InChI=1S/C29H31N3.2C25H27N3.C23H23N3.C21H19N3.2BrH.8ClH.5Fe/c1-20(30-28-18-7-12-22-10-3-5-14-24(22)28)26-16-9-17-27(32-26)21(2)31-29-19-8-13-23-11-4-6-15-25(23)29;1-16-10-12-22(18(3)14-16)26-20(5)24-8-7-9-25(28-24)21(6)27-23-13-11-17(2)15-19(23)4;1-5-20-12-7-9-14-24(20)26-18(3)22-16-11-17-23(28-22)19(4)27-25-15-10-8-13-21(25)6-2;1-16-10-5-7-12-20(16)24-18(3)22-14-9-15-23(26-22)19(4)25-21-13-8-6-11-17(21)2;1-16(22-18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)23-19-12-7-4-8-13-19;;;;;;;;;;;;;;;/h7-9,12-13,16-19H,3-6,10-11,14-15H2,1-2H3;7-15H,1-6H3;7-17H,5-6H2,1-4H3;5-15H,1-4H3;3-15H,1-2H3;10*1H;;;;;/q;;;;;;;;;;;;;;;5*+2/p-10/b30-20+,31-21+;26-20+,27-21+;26-18+,27-19+;24-18+,25-19+;22-16+,23-17+
• InChIKey: BPTXXAIUPBTQAE-MKBMZZFASA-D
• XLogP: 38.74
• TPSA: 188.05 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2538.13
LogP ≤ 5	38.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine?

The IUPAC name of dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine (CID 157424299) is dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine.

What is the SMILES notation for dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine?

The canonical SMILES for dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine is Br[Fe]Br.C/C(=N\c1ccc(C)cc1C)c1cccc(/C(C)=N/c2ccc(C)cc2C)n1.C/C(=N\c1cccc2c1CCCC2)c1cccc(/C(C)=N/c2cccc3c2CCCC3)n1.C/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2)n1.C/C(=N\c1ccccc1C)c1cccc(/C(C)=N/c2ccccc2C)n1.CCc1ccccc1/N=C(\C)c1cccc(/C(C)=N/c2ccccc2CC)n1.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.

What is the InChIKey of dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine?

The InChIKey is BPTXXAIUPBTQAE-MKBMZZFASA-D. The full InChI is InChI=1S/C29H31N3.2C25H27N3.C23H23N3.C21H19N3.2BrH.8ClH.5Fe/c1-20(30-28-18-7-12-22-10-3-5-14-24(22)28)26-16-9-17-27(32-26)21(2)31-29-19-8-13-23-11-4-6-15-25(23)29;1-16-10-12-22(18(3)14-16)26-20(5)24-8-7-9-25(28-24)21(6)27-23-13-11-17(2)15-19(23)4;1-5-20-12-7-9-14-24(20)26-18(3)22-16-11-17-23(28-22)19(4)27-25-15-10-8-13-21(25)6-2;1-16-10-5-7-12-20(16)24-18(3)22-14-9-15-23(26-22)19(4)25-21-13-8-6-11-17(21)2;1-16(22-18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)23-19-12-7-4-8-13-19;;;;;;;;;;;;;;;/h7-9,12-13,16-19H,3-6,10-11,14-15H2,1-2H3;7-15H,1-6H3;7-17H,5-6H2,1-4H3;5-15H,1-4H3;3-15H,1-2H3;10*1H;;;;;/q;;;;;;;;;;;;;;;5*+2/p-10/b30-20+,31-21+;26-20+,27-21+;26-18+,27-19+;24-18+,25-19+;22-16+,23-17+;;;;;;;;;;;;;;;.

What are the key properties of dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine?

dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine has a molecular weight of 2538.13 g/mol, XLogP of 38.74, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for dibromoiron;tetrakis(dichloroiron);N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;1-[6-[C-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanimine is sourced from PubChem (CID 157424299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).