2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel

C154H207Br2N10Ni5O12-5 — CID 157145252

IUPAC2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel
SMILESC=C(C)c1ccccc1/N=C1C(=N/c2ccccc2C(=C)C)/c2cccc3cccc/1c23.CC(=N\c1c(C)cc(C)cc1Br)/C(C)=N/c1c(C)cc(C)cc1Br.CC(C)c1cccc(C(C)C)c1/N=C1\CCCC\C1=N/c1c(C(C)C)cccc1C(C)C.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.COc1cccc(C)c1/N=C(C)/C(C)=N/c1c(C)cccc1OC.Cc1cc(C)c(/N=C2\CCCC\C2=N/c2c(C)cc(C)cc2C)c(C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ni].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/C30H24N2.C30H42N2.C24H30N2.C20H22Br2N2.C20H24N2O2.5C5H10O2.5CH3.5Ni/c1-19(2)22-13-5-7-17-26(22)31-29-24-15-9-11-21-12-10-16-25(28(21)24)30(29)32-27-18-8-6-14-23(27)20(3)4;1-19(2)23-13-11-14-24(20(3)4)29(23)31-27-17-9-10-18-28(27)32-30-25(21(5)6)15-12-16-26(30)22(7)8;1-15-11-17(3)23(18(4)12-15)25-21-9-7-8-10-22(21)26-24-19(5)13-16(2)14-20(24)6;1-11-7-13(3)19(17(21)9-11)23-15(5)16(6)24-20-14(4)8-12(2)10-18(20)22;1-13-9-7-11-17(23-5)19(13)21-15(3)16(4)22-20-14(2)10-8-12-18(20)24-6;5*1-4(2)5(6)7-3;;;;;;;;;;/h5-18H,1,3H2,2,4H3;11-16,19-22H,9-10,17-18H2,1-8H3;11-14H,7-10H2,1-6H3;7-10H,1-6H3;7-12H,1-6H3;5*4H,1-3H3;5*1H3;;;;;/q;;;;;;;;;;5*-1;;;;;/b31-29+,32-30+;31-27+,32-28+;25-21+,26-22+;23-15+,24-16+;21-15+,22-16+;;;;;;;;;;;;;;;
InChIKeyQJHMGDRJHDJDGE-HXOGUPRUSA-N
MW2843.68 g/mol
LogP43.57
Rot. Bonds25

About 2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel

2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel (PubChem CID 157145252) has the molecular formula C154H207Br2N10Ni5O12-5 and a molecular weight of 2843.68 g/mol. Its IUPAC name is 2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel.

Molecular Properties

Compound Name2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel
PubChem CID157145252
Molecular FormulaC154H207Br2N10Ni5O12-5
Molecular Weight2843.68 g/mol
Exact Mass2836.11
IUPAC Name2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel
SMILESC=C(C)c1ccccc1/N=C1C(=N/c2ccccc2C(=C)C)/c2cccc3cccc/1c23.CC(=N\c1c(C)cc(C)cc1Br)/C(C)=N/c1c(C)cc(C)cc1Br.CC(C)c1cccc(C(C)C)c1/N=C1\CCCC\C1=N/c1c(C(C)C)cccc1C(C)C.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.COc1cccc(C)c1/N=C(C)/C(C)=N/c1c(C)cccc1OC.Cc1cc(C)c(/N=C2\CCCC\C2=N/c2c(C)cc(C)cc2C)c(C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ni].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/C30H24N2.C30H42N2.C24H30N2.C20H22Br2N2.C20H24N2O2.5C5H10O2.5CH3.5Ni/c1-19(2)22-13-5-7-17-26(22)31-29-24-15-9-11-21-12-10-16-25(28(21)24)30(29)32-27-18-8-6-14-23(27)20(3)4;1-19(2)23-13-11-14-24(20(3)4)29(23)31-27-17-9-10-18-28(27)32-30-25(21(5)6)15-12-16-26(30)22(7)8;1-15-11-17(3)23(18(4)12-15)25-21-9-7-8-10-22(21)26-24-19(5)13-16(2)14-20(24)6;1-11-7-13(3)19(17(21)9-11)23-15(5)16(6)24-20-14(4)8-12(2)10-18(20)22;1-13-9-7-11-17(23-5)19(13)21-15(3)16(4)22-20-14(2)10-8-12-18(20)24-6;5*1-4(2)5(6)7-3;;;;;;;;;;/h5-18H,1,3H2,2,4H3;11-16,19-22H,9-10,17-18H2,1-8H3;11-14H,7-10H2,1-6H3;7-10H,1-6H3;7-12H,1-6H3;5*4H,1-3H3;5*1H3;;;;;/q;;;;;;;;;;5*-1;;;;;/b31-29+,32-30+;31-27+,32-28+;25-21+,26-22+;23-15+,24-16+;21-15+,22-16+;;;;;;;;;;;;;;;
InChIKeyQJHMGDRJHDJDGE-HXOGUPRUSA-N
XLogP43.57
TPSA273.56 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002843.68
LogP ≤ 543.57
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 2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel with MolForge

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Related Compounds

1-N,2-N-bis(4-bromo-2,6-dimethylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(4-tert-butyl-2,6-dimethylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,6-dimethylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2-phenylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2-propan-2-ylphenyl)acenaphthylene-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);pentakis(nickel(2+))
CID 158253643
2-N,3-N-bis(2-chloro-4,6-diphenylphenyl)butane-2,3-diimine;1-N,2-N-bis(2,6-dichloro-4-methoxyphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2-methylnaphthalen-1-yl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2-methyl-6-propan-2-ylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel
CID 160925740
1-N,2-N-bis(2,6-dimethylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,6-dimethylphenyl)-5-phenylfuran-2,3-diimine;N,N'-bis[2,6-di(propan-2-yl)phenyl]-1-phenylethane-1,2-diimine;2-N,3-N-bis(2,4,6-triphenylphenyl)butane-2,3-diimine;carbanide;N-(2,6-dimethylphenyl)-1-phenyl-N'-(2,4,6-trimethylphenyl)ethane-1,2-diimine;1,2-dipyridin-2-yl-N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine;hexakis(methyl 2-methylpropanoate);nickel
CID 160922568
1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine;bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;bis(nickel dihydride);nickel monohydride
CID 159038945
1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine;bromonickel;carbanide
CID 20789300
1-N,2-N-bis[4-methyl-2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 102242944
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2-methoxy-6-methylphenyl)ethanimine
CID 102457865
2-N,3-N-bis(2,5-dimethylphenyl)butane-2,3-diimine;carbanide;methyl 2-methylpropanoate;nickel
CID 158389511
bis(3,5-dimethylphenyl)-[2-[[2-(2-methyl-6-propan-2-ylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;bis(3,5-dimethylphenyl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;bis(dichloroiron)
CID 158673041
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;1-N,2-N-bis(2-ethyl-6-propan-2-ylphenyl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2-ethyl-6-propan-2-ylphenyl)butane-2,3-diimine;tris(dibromonickel)
CID 158886322
N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide
CID 162491948
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel?
The IUPAC name of 2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel (CID 157145252) is 2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel.
What is the SMILES notation for 2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel?
The canonical SMILES for 2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel is C=C(C)c1ccccc1/N=C1C(=N/c2ccccc2C(=C)C)/c2cccc3cccc/1c23.CC(=N\c1c(C)cc(C)cc1Br)/C(C)=N/c1c(C)cc(C)cc1Br.CC(C)c1cccc(C(C)C)c1/N=C1\CCCC\C1=N/c1c(C(C)C)cccc1C(C)C.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.COc1cccc(C)c1/N=C(C)/C(C)=N/c1c(C)cccc1OC.Cc1cc(C)c(/N=C2\CCCC\C2=N/c2c(C)cc(C)cc2C)c(C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ni].[Ni].[Ni].[Ni].[Ni].
What is the InChIKey of 2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel?
The InChIKey is QJHMGDRJHDJDGE-HXOGUPRUSA-N. The full InChI is InChI=1S/C30H24N2.C30H42N2.C24H30N2.C20H22Br2N2.C20H24N2O2.5C5H10O2.5CH3.5Ni/c1-19(2)22-13-5-7-17-26(22)31-29-24-15-9-11-21-12-10-16-25(28(21)24)30(29)32-27-18-8-6-14-23(27)20(3)4;1-19(2)23-13-11-14-24(20(3)4)29(23)31-27-17-9-10-18-28(27)32-30-25(21(5)6)15-12-16-26(30)22(7)8;1-15-11-17(3)23(18(4)12-15)25-21-9-7-8-10-22(21)26-24-19(5)13-16(2)14-20(24)6;1-11-7-13(3)19(17(21)9-11)23-15(5)16(6)24-20-14(4)8-12(2)10-18(20)22;1-13-9-7-11-17(23-5)19(13)21-15(3)16(4)22-20-14(2)10-8-12-18(20)24-6;5*1-4(2)5(6)7-3;;;;;;;;;;/h5-18H,1,3H2,2,4H3;11-16,19-22H,9-10,17-18H2,1-8H3;11-14H,7-10H2,1-6H3;7-10H,1-6H3;7-12H,1-6H3;5*4H,1-3H3;5*1H3;;;;;/q;;;;;;;;;;5*-1;;;;;/b31-29+,32-30+;31-27+,32-28+;25-21+,26-22+;23-15+,24-16+;21-15+,22-16+;;;;;;;;;;;;;;;.
What are the key properties of 2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel?
2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel has a molecular weight of 2843.68 g/mol, XLogP of 43.57, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(2-bromo-4,6-dimethylphenyl)butane-2,3-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;2-N,3-N-bis(2-methoxy-6-methylphenyl)butane-2,3-diimine;1-N,2-N-bis(2-prop-1-en-2-ylphenyl)acenaphthylene-1,2-diimine;1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;carbanide;pentakis(methyl 2-methylpropanoate);nickel is sourced from PubChem (CID 157145252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).