1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine

C150H205Cl2N14Ni5O10S2+5 — CID 157410082

IUPAC1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine
SMILESCCc1cc(CC)c(/N=C(C)/C(C)=N/c2c(C)cc(C)cc2C)c(CC)c1.COC(=O)C(C)C.COC(=O)C(C)C.COC(=O)C(C)C.COC(=O)C(C)C.COC(=O)C(C)C.Cc1cc(C)c(/N=C2C(=N/c3c(C)cc(C)cc3C)/N(C)CCN/2C)c(C)c1.Cc1cc(C)c(/N=C2\SCCS\C2=N/c2c(C)cc(C)cc2C)c(C)c1.Cc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/N(C)CCCN/1C.Cc1cccc(Cl)c1/N=C1C(=N/c2c(C)cccc2Cl)/c2cccc3cccc/1c23.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/C26H18Cl2N2.C25H34N2.C24H32N4.C23H30N4.C22H26N2S2.5C5H10O2.5CH3.5Ni/c1-15-7-3-13-20(27)23(15)29-25-18-11-5-9-17-10-6-12-19(22(17)18)26(25)30-24-16(2)8-4-14-21(24)28;1-9-21-14-22(10-2)25(23(11-3)15-21)27-20(8)19(7)26-24-17(5)12-16(4)13-18(24)6;1-15-11-17(3)21(18(4)12-15)25-23-24(28(8)10-9-27(23)7)26-22-19(5)13-16(2)14-20(22)6;1-16-10-7-11-17(2)20(16)24-22-23(27(6)15-9-14-26(22)5)25-21-18(3)12-8-13-19(21)4;1-13-9-15(3)19(16(4)10-13)23-21-22(26-8-7-25-21)24-20-17(5)11-14(2)12-18(20)6;5*1-4(2)5(6)7-3;;;;;;;;;;/h3-14H,1-2H3;12-15H,9-11H2,1-8H3;11-14H,9-10H2,1-8H3;7-8,10-13H,9,14-15H2,1-6H3;9-12H,7-8H2,1-6H3;5*4H,1-3H3;5*1H3;;;;;/q;;;;;;;;;;5*-1;5*+2/b29-25+,30-26+;26-19+,27-20+;25-23-,26-24-;24-22-,25-23-;23-21-,24-22-;;;;;;;;;;;;;;;
InChIKeyIYDDXSBSRNDWDW-WLDYRHIHSA-N
MW2792.88 g/mol
LogP38.42
Rot. Bonds19

About 1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine

1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine (PubChem CID 157410082) has the molecular formula C150H205Cl2N14Ni5O10S2+5 and a molecular weight of 2792.88 g/mol. Its IUPAC name is 1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine
PubChem CID157410082
Molecular FormulaC150H205Cl2N14Ni5O10S2+5
Molecular Weight2792.88 g/mol
Exact Mass2786.15
IUPAC Name1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine
SMILESCCc1cc(CC)c(/N=C(C)/C(C)=N/c2c(C)cc(C)cc2C)c(CC)c1.COC(=O)C(C)C.COC(=O)C(C)C.COC(=O)C(C)C.COC(=O)C(C)C.COC(=O)C(C)C.Cc1cc(C)c(/N=C2C(=N/c3c(C)cc(C)cc3C)/N(C)CCN/2C)c(C)c1.Cc1cc(C)c(/N=C2\SCCS\C2=N/c2c(C)cc(C)cc2C)c(C)c1.Cc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/N(C)CCCN/1C.Cc1cccc(Cl)c1/N=C1C(=N/c2c(C)cccc2Cl)/c2cccc3cccc/1c23.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/C26H18Cl2N2.C25H34N2.C24H32N4.C23H30N4.C22H26N2S2.5C5H10O2.5CH3.5Ni/c1-15-7-3-13-20(27)23(15)29-25-18-11-5-9-17-10-6-12-19(22(17)18)26(25)30-24-16(2)8-4-14-21(24)28;1-9-21-14-22(10-2)25(23(11-3)15-21)27-20(8)19(7)26-24-17(5)12-16(4)13-18(24)6;1-15-11-17(3)21(18(4)12-15)25-23-24(28(8)10-9-27(23)7)26-22-19(5)13-16(2)14-20(22)6;1-16-10-7-11-17(2)20(16)24-22-23(27(6)15-9-14-26(22)5)25-21-18(3)12-8-13-19(21)4;1-13-9-15(3)19(16(4)10-13)23-21-22(26-8-7-25-21)24-20-17(5)11-14(2)12-18(20)6;5*1-4(2)5(6)7-3;;;;;;;;;;/h3-14H,1-2H3;12-15H,9-11H2,1-8H3;11-14H,9-10H2,1-8H3;7-8,10-13H,9,14-15H2,1-6H3;9-12H,7-8H2,1-6H3;5*4H,1-3H3;5*1H3;;;;;/q;;;;;;;;;;5*-1;5*+2/b29-25+,30-26+;26-19+,27-20+;25-23-,26-24-;24-22-,25-23-;23-21-,24-22-;;;;;;;;;;;;;;;
InChIKeyIYDDXSBSRNDWDW-WLDYRHIHSA-N
XLogP38.42
TPSA268.06 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002792.88
LogP ≤ 538.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine?
The IUPAC name of 1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine (CID 157410082) is 1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine.
What is the SMILES notation for 1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine?
The canonical SMILES for 1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine is CCc1cc(CC)c(/N=C(C)/C(C)=N/c2c(C)cc(C)cc2C)c(CC)c1.COC(=O)C(C)C.COC(=O)C(C)C.COC(=O)C(C)C.COC(=O)C(C)C.COC(=O)C(C)C.Cc1cc(C)c(/N=C2C(=N/c3c(C)cc(C)cc3C)/N(C)CCN/2C)c(C)c1.Cc1cc(C)c(/N=C2\SCCS\C2=N/c2c(C)cc(C)cc2C)c(C)c1.Cc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/N(C)CCCN/1C.Cc1cccc(Cl)c1/N=C1C(=N/c2c(C)cccc2Cl)/c2cccc3cccc/1c23.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].
What is the InChIKey of 1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine?
The InChIKey is IYDDXSBSRNDWDW-WLDYRHIHSA-N. The full InChI is InChI=1S/C26H18Cl2N2.C25H34N2.C24H32N4.C23H30N4.C22H26N2S2.5C5H10O2.5CH3.5Ni/c1-15-7-3-13-20(27)23(15)29-25-18-11-5-9-17-10-6-12-19(22(17)18)26(25)30-24-16(2)8-4-14-21(24)28;1-9-21-14-22(10-2)25(23(11-3)15-21)27-20(8)19(7)26-24-17(5)12-16(4)13-18(24)6;1-15-11-17(3)21(18(4)12-15)25-23-24(28(8)10-9-27(23)7)26-22-19(5)13-16(2)14-20(22)6;1-16-10-7-11-17(2)20(16)24-22-23(27(6)15-9-14-26(22)5)25-21-18(3)12-8-13-19(21)4;1-13-9-15(3)19(16(4)10-13)23-21-22(26-8-7-25-21)24-20-17(5)11-14(2)12-18(20)6;5*1-4(2)5(6)7-3;;;;;;;;;;/h3-14H,1-2H3;12-15H,9-11H2,1-8H3;11-14H,9-10H2,1-8H3;7-8,10-13H,9,14-15H2,1-6H3;9-12H,7-8H2,1-6H3;5*4H,1-3H3;5*1H3;;;;;/q;;;;;;;;;;5*-1;5*+2/b29-25+,30-26+;26-19+,27-20+;25-23-,26-24-;24-22-,25-23-;23-21-,24-22-;;;;;;;;;;;;;;;.
What are the key properties of 1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine?
1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine has a molecular weight of 2792.88 g/mol, XLogP of 38.42, 19 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2-chloro-6-methylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethyl-1,4-diazepane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;1,4-dimethyl-2-N,3-N-bis(2,4,6-trimethylphenyl)piperazine-2,3-diimine;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+));3-N-(2,4,6-triethylphenyl)-2-N-(2,4,6-trimethylphenyl)butane-2,3-diimine is sourced from PubChem (CID 157410082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).