octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine

C192H192Cl16Fe8N16O8 — CID 158835284

About octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine

octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine (PubChem CID 158835284) has the molecular formula C192H192Cl16Fe8N16O8 and a molecular weight of 3865.76 g/mol. Its IUPAC name is octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine.

Molecular Properties

• Compound Name: octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine
• PubChem CID: 158835284
• Molecular Formula: C192H192Cl16Fe8N16O8
• Molecular Weight: 3865.76 g/mol
• Exact Mass: 3856.49
• IUPAC Name: octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine
• SMILES: C/C(=N\c1c(C)cccc1C)c1ccc(/C(C)=N/c2c(C)cccc2C)o1.C/C(=N\c1cc(C)cc(C)c1)c1ccc(/C(C)=N/c2cc(C)cc(C)c2)o1.C/C(=N\c1ccc(C)cc1)c1ccc(/C(C)=N/c2ccc(C)cc2)o1.C/C(=N\c1ccccc1-c1ccccc1)c1ccc(/C(C)=N/c2ccccc2-c2ccccc2)o1.C/C(=N\c1ccccc1C)c1ccc(/C(C)=N/c2ccccc2C)o1.C/C(=N\c1ccccc1C)c1ccc(/C(C)=N/c2ccccc2C)o1.CCc1cccc(C)c1/N=C/c1ccc(/C=N/c2c(C)cccc2CC)o1.Cc1cccc(C)c1/N=C/c1ccc(/C=N/c2c(C)cccc2C)o1.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl
• InChI: InChI=1S/C32H26N2O.3C24H26N2O.4C22H22N2O.16ClH.8Fe/c1-23(33-29-19-11-9-17-27(29)25-13-5-3-6-14-25)31-21-22-32(35-31)24(2)34-30-20-12-10-18-28(30)26-15-7-4-8-16-26;1-15-9-7-10-16(2)23(15)25-19(5)21-13-14-22(27-21)20(6)26-24-17(3)11-8-12-18(24)4;1-15-9-16(2)12-21(11-15)25-19(5)23-7-8-24(27-23)20(6)26-22-13-17(3)10-18(4)14-22;1-5-19-11-7-9-17(3)23(19)25-15-21-13-14-22(27-21)16-26-24-18(4)10-8-12-20(24)6-2;1-15-5-9-19(10-6-15)23-17(3)21-13-14-22(25-21)18(4)24-20-11-7-16(2)8-12-20;2*1-15-9-5-7-11-19(15)23-17(3)21-13-14-22(25-21)18(4)24-20-12-8-6-10-16(20)2;1-15-7-5-8-16(2)21(15)23-13-19-11-12-20(25-19)14-24-22-17(3)9-6-10-18(22)4;;;;;;;;;;;;;;;;;;;;;;;;/h3-22H,1-2H3;2*7-14H,1-6H3;7-16H,5-6H2,1-4H3;4*5-14H,1-4H3;16*1H;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;8*+2/p-16/b33-23+,34-24+;2*25-19+,26-20+;25-15+,26-16+;3*23-17+,24-18+;23-13+,24-14+
• InChIKey: IXOBNFODPWOOSH-IHTWKLLSSA-A
• XLogP: 64.57
• TPSA: 302.88 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3865.76
LogP ≤ 5	64.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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 octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine?

The IUPAC name of octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine (CID 158835284) is octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine.

What is the SMILES notation for octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine?

The canonical SMILES for octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine is C/C(=N\c1c(C)cccc1C)c1ccc(/C(C)=N/c2c(C)cccc2C)o1.C/C(=N\c1cc(C)cc(C)c1)c1ccc(/C(C)=N/c2cc(C)cc(C)c2)o1.C/C(=N\c1ccc(C)cc1)c1ccc(/C(C)=N/c2ccc(C)cc2)o1.C/C(=N\c1ccccc1-c1ccccc1)c1ccc(/C(C)=N/c2ccccc2-c2ccccc2)o1.C/C(=N\c1ccccc1C)c1ccc(/C(C)=N/c2ccccc2C)o1.C/C(=N\c1ccccc1C)c1ccc(/C(C)=N/c2ccccc2C)o1.CCc1cccc(C)c1/N=C/c1ccc(/C=N/c2c(C)cccc2CC)o1.Cc1cccc(C)c1/N=C/c1ccc(/C=N/c2c(C)cccc2C)o1.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.Cl[Fe]Cl.

What is the InChIKey of octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine?

The InChIKey is IXOBNFODPWOOSH-IHTWKLLSSA-A. The full InChI is InChI=1S/C32H26N2O.3C24H26N2O.4C22H22N2O.16ClH.8Fe/c1-23(33-29-19-11-9-17-27(29)25-13-5-3-6-14-25)31-21-22-32(35-31)24(2)34-30-20-12-10-18-28(30)26-15-7-4-8-16-26;1-15-9-7-10-16(2)23(15)25-19(5)21-13-14-22(27-21)20(6)26-24-17(3)11-8-12-18(24)4;1-15-9-16(2)12-21(11-15)25-19(5)23-7-8-24(27-23)20(6)26-22-13-17(3)10-18(4)14-22;1-5-19-11-7-9-17(3)23(19)25-15-21-13-14-22(27-21)16-26-24-18(4)10-8-12-20(24)6-2;1-15-5-9-19(10-6-15)23-17(3)21-13-14-22(25-21)18(4)24-20-11-7-16(2)8-12-20;2*1-15-9-5-7-11-19(15)23-17(3)21-13-14-22(25-21)18(4)24-20-12-8-6-10-16(20)2;1-15-7-5-8-16(2)21(15)23-13-19-11-12-20(25-19)14-24-22-17(3)9-6-10-18(22)4;;;;;;;;;;;;;;;;;;;;;;;;/h3-22H,1-2H3;2*7-14H,1-6H3;7-16H,5-6H2,1-4H3;4*5-14H,1-4H3;16*1H;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;8*+2/p-16/b33-23+,34-24+;2*25-19+,26-20+;25-15+,26-16+;3*23-17+,24-18+;23-13+,24-14+;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine?

octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine has a molecular weight of 3865.76 g/mol, XLogP of 64.57, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for octakis(dichloroiron);N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]furan-2-yl]methanimine;N-(2,6-dimethylphenyl)-1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(3,5-dimethylphenyl)-1-[5-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine;N-(2-ethyl-6-methylphenyl)-1-[5-[(2-ethyl-6-methylphenyl)iminomethyl]furan-2-yl]methanimine;bis(1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]furan-2-yl]-N-(2-methylphenyl)ethanimine);1-[5-[C-methyl-N-(4-methylphenyl)carbonimidoyl]furan-2-yl]-N-(4-methylphenyl)ethanimine;1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]furan-2-yl]-N-(2-phenylphenyl)ethanimine is sourced from PubChem (CID 158835284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).