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

C229H262N14Ni6O13-6 — CID 160922568

IUPAC1-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
SMILESCC(=N\c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)/C(C)=N/c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.CC(C)c1cccc(C(C)C)c1/N=C/C(=N/c1c(C(C)C)cccc1C(C)C)c1ccccc1.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.COC(=O)C(C)C.Cc1cc(C)c(/N=C(C(=N/c2c(C)cc(C)cc2C)/c2ccccn2)\c2ccccn2)c(C)c1.Cc1cc(C)c(/N=C/C(=N/c2c(C)cccc2C)c2ccccc2)c(C)c1.Cc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/c2cccc3cccc/1c23.Cc1cccc(C)c1/N=C1\OC(c2ccccc2)=C\C1=N/c1c(C)cccc1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/C52H40N2.C32H40N2.C30H30N4.C28H24N2.C26H24N2O.C25H26N2.6C5H10O2.6CH3.6Ni/c1-37(53-51-47(41-25-13-5-14-26-41)33-45(39-21-9-3-10-22-39)34-48(51)42-27-15-6-16-28-42)38(2)54-52-49(43-29-17-7-18-30-43)35-46(40-23-11-4-12-24-40)36-50(52)44-31-19-8-20-32-44;1-21(2)26-16-12-17-27(22(3)4)31(26)33-20-30(25-14-10-9-11-15-25)34-32-28(23(5)6)18-13-19-29(32)24(7)8;1-19-15-21(3)27(22(4)16-19)33-29(25-11-7-9-13-31-25)30(26-12-8-10-14-32-26)34-28-23(5)17-20(2)18-24(28)6;1-17-9-5-10-18(2)25(17)29-27-22-15-7-13-21-14-8-16-23(24(21)22)28(27)30-26-19(3)11-6-12-20(26)4;1-17-10-8-11-18(2)24(17)27-22-16-23(21-14-6-5-7-15-21)29-26(22)28-25-19(3)12-9-13-20(25)4;1-17-14-20(4)24(21(5)15-17)26-16-23(22-12-7-6-8-13-22)27-25-18(2)10-9-11-19(25)3;6*1-4(2)5(6)7-3;;;;;;;;;;;;/h3-36H,1-2H3;9-24H,1-8H3;7-18H,1-6H3;5-16H,1-4H3;5-16H,1-4H3;6-16H,1-5H3;6*4H,1-3H3;6*1H3;;;;;;/q;;;;;;;;;;;;6*-1;;;;;;/b53-37+,54-38+;33-20+,34-30-;33-29+,34-30+;29-27+,30-28+;27-22+,28-26-;26-16+,27-23-;;;;;;;;;;;;;;;;;;
InChIKeySQNFEGKJMSUEOS-RKEIVPKGSA-N
MW3770.86 g/mol
LogP60.00
Rot. Bonds37

About 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

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 (PubChem CID 160922568) has the molecular formula C229H262N14Ni6O13-6 and a molecular weight of 3770.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID160922568
Molecular FormulaC229H262N14Ni6O13-6
Molecular Weight3770.86 g/mol
Exact Mass3763.64
IUPAC Name1-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
SMILESCC(=N\c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)/C(C)=N/c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.CC(C)c1cccc(C(C)C)c1/N=C/C(=N/c1c(C(C)C)cccc1C(C)C)c1ccccc1.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.COC(=O)C(C)C.Cc1cc(C)c(/N=C(C(=N/c2c(C)cc(C)cc2C)/c2ccccn2)\c2ccccn2)c(C)c1.Cc1cc(C)c(/N=C/C(=N/c2c(C)cccc2C)c2ccccc2)c(C)c1.Cc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/c2cccc3cccc/1c23.Cc1cccc(C)c1/N=C1\OC(c2ccccc2)=C\C1=N/c1c(C)cccc1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/C52H40N2.C32H40N2.C30H30N4.C28H24N2.C26H24N2O.C25H26N2.6C5H10O2.6CH3.6Ni/c1-37(53-51-47(41-25-13-5-14-26-41)33-45(39-21-9-3-10-22-39)34-48(51)42-27-15-6-16-28-42)38(2)54-52-49(43-29-17-7-18-30-43)35-46(40-23-11-4-12-24-40)36-50(52)44-31-19-8-20-32-44;1-21(2)26-16-12-17-27(22(3)4)31(26)33-20-30(25-14-10-9-11-15-25)34-32-28(23(5)6)18-13-19-29(32)24(7)8;1-19-15-21(3)27(22(4)16-19)33-29(25-11-7-9-13-31-25)30(26-12-8-10-14-32-26)34-28-23(5)17-20(2)18-24(28)6;1-17-9-5-10-18(2)25(17)29-27-22-15-7-13-21-14-8-16-23(24(21)22)28(27)30-26-19(3)11-6-12-20(26)4;1-17-10-8-11-18(2)24(17)27-22-16-23(21-14-6-5-7-15-21)29-26(22)28-25-19(3)12-9-13-20(25)4;1-17-14-20(4)24(21(5)15-17)26-16-23(22-12-7-6-8-13-22)27-25-18(2)10-9-11-19(25)3;6*1-4(2)5(6)7-3;;;;;;;;;;;;/h3-36H,1-2H3;9-24H,1-8H3;7-18H,1-6H3;5-16H,1-4H3;5-16H,1-4H3;6-16H,1-5H3;6*4H,1-3H3;6*1H3;;;;;;/q;;;;;;;;;;;;6*-1;;;;;;/b53-37+,54-38+;33-20+,34-30-;33-29+,34-30+;29-27+,30-28+;27-22+,28-26-;26-16+,27-23-;;;;;;;;;;;;;;;;;;
InChIKeySQNFEGKJMSUEOS-RKEIVPKGSA-N
XLogP60.00
TPSA341.13 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms262
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003770.86
LogP ≤ 560.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=N\c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)/C(C)=N/c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.CC(C)c1cccc(C(C)C)c1/N=C/C(=N/c1c(C(C)C)cccc1C(C)C)c1ccccc1.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.COC(=O)C(C)C.Cc1cc(C)c(/N=C(C(=N/c2c(C)cc(C)cc2C)/c2ccccn2)\c2ccccn2)c(C)c1.Cc1cc(C)c(/N=C/C(=N/c2c(C)cccc2C)c2ccccc2)c(C)c1.Cc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/c2cccc3cccc/1c23.Cc1cccc(C)c1/N=C1\OC(c2ccccc2)=C\C1=N/c1c(C)cccc1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].
What is the InChIKey of 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?
The InChIKey is SQNFEGKJMSUEOS-RKEIVPKGSA-N. The full InChI is InChI=1S/C52H40N2.C32H40N2.C30H30N4.C28H24N2.C26H24N2O.C25H26N2.6C5H10O2.6CH3.6Ni/c1-37(53-51-47(41-25-13-5-14-26-41)33-45(39-21-9-3-10-22-39)34-48(51)42-27-15-6-16-28-42)38(2)54-52-49(43-29-17-7-18-30-43)35-46(40-23-11-4-12-24-40)36-50(52)44-31-19-8-20-32-44;1-21(2)26-16-12-17-27(22(3)4)31(26)33-20-30(25-14-10-9-11-15-25)34-32-28(23(5)6)18-13-19-29(32)24(7)8;1-19-15-21(3)27(22(4)16-19)33-29(25-11-7-9-13-31-25)30(26-12-8-10-14-32-26)34-28-23(5)17-20(2)18-24(28)6;1-17-9-5-10-18(2)25(17)29-27-22-15-7-13-21-14-8-16-23(24(21)22)28(27)30-26-19(3)11-6-12-20(26)4;1-17-10-8-11-18(2)24(17)27-22-16-23(21-14-6-5-7-15-21)29-26(22)28-25-19(3)12-9-13-20(25)4;1-17-14-20(4)24(21(5)15-17)26-16-23(22-12-7-6-8-13-22)27-25-18(2)10-9-11-19(25)3;6*1-4(2)5(6)7-3;;;;;;;;;;;;/h3-36H,1-2H3;9-24H,1-8H3;7-18H,1-6H3;5-16H,1-4H3;5-16H,1-4H3;6-16H,1-5H3;6*4H,1-3H3;6*1H3;;;;;;/q;;;;;;;;;;;;6*-1;;;;;;/b53-37+,54-38+;33-20+,34-30-;33-29+,34-30+;29-27+,30-28+;27-22+,28-26-;26-16+,27-23-;;;;;;;;;;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 3770.86 g/mol, XLogP of 60.00, 37 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160922568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).