N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel)

C62H74Br6F2N6Ni3 — CID 159420397

IUPACN,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel)
SMILESBr[Ni]Br.Br[Ni]Br.Br[Ni]Br.CC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.CC(=N\c1ccc(F)cc1)/C(C)=N/c1ccc(F)cc1.Cc1cccc(C)c1/N=C/C=N/c1c(C)cccc1C
InChIInChI=1S/C28H40N2.C18H20N2.C16H14F2N2.6BrH.3Ni/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8;1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;1-11(19-15-7-3-13(17)4-8-15)12(2)20-16-9-5-14(18)6-10-16;;;;;;;;;/h11-20H,1-10H3;5-12H,1-4H3;3-10H,1-2H3;6*1H;;;/q;;;;;;;;;3*+2/p-6/b29-21+,30-22+;2*19-11+,20-12+;;;;;;;;;
InChIKeyLPRUGERMYDEGPS-FPHNLCPNSA-H
MW1596.81 g/mol
LogP24.01
Rot. Bonds13

About N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel)

N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel) (PubChem CID 159420397) has the molecular formula C62H74Br6F2N6Ni3 and a molecular weight of 1596.81 g/mol. Its IUPAC name is N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel).

Molecular Properties

Compound NameN,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel)
PubChem CID159420397
Molecular FormulaC62H74Br6F2N6Ni3
Molecular Weight1596.81 g/mol
Exact Mass1587.91
IUPAC NameN,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel)
SMILESBr[Ni]Br.Br[Ni]Br.Br[Ni]Br.CC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.CC(=N\c1ccc(F)cc1)/C(C)=N/c1ccc(F)cc1.Cc1cccc(C)c1/N=C/C=N/c1c(C)cccc1C
InChIInChI=1S/C28H40N2.C18H20N2.C16H14F2N2.6BrH.3Ni/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8;1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;1-11(19-15-7-3-13(17)4-8-15)12(2)20-16-9-5-14(18)6-10-16;;;;;;;;;/h11-20H,1-10H3;5-12H,1-4H3;3-10H,1-2H3;6*1H;;;/q;;;;;;;;;3*+2/p-6/b29-21+,30-22+;2*19-11+,20-12+;;;;;;;;;
InChIKeyLPRUGERMYDEGPS-FPHNLCPNSA-H
XLogP24.01
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001596.81
LogP ≤ 524.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
CID 21339155
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);(Z)-but-2-ene-2,3-diolate;nickel
CID 139170937
bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine
CID 20750698
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
N,N'-bis[2,6-di(propan-2-yl)phenyl]-1,2-bis(4-fluorophenyl)ethane-1,2-diimine
CID 20647689
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
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,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154
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
2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,6-diethylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(3-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(4-methylphenyl)butane-2,3-diimine;2-N,3-N-bis(2,4,6-trimethylphenyl)butane-2,3-diimine;2-N,3-N-diphenylbutane-2,3-diimine;N,N'-diphenylethane-1,2-diimine
CID 162004930

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel)?
The IUPAC name of N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel) (CID 159420397) is N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel).
What is the SMILES notation for N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel)?
The canonical SMILES for N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel) is Br[Ni]Br.Br[Ni]Br.Br[Ni]Br.CC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.CC(=N\c1ccc(F)cc1)/C(C)=N/c1ccc(F)cc1.Cc1cccc(C)c1/N=C/C=N/c1c(C)cccc1C.
What is the InChIKey of N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel)?
The InChIKey is LPRUGERMYDEGPS-FPHNLCPNSA-H. The full InChI is InChI=1S/C28H40N2.C18H20N2.C16H14F2N2.6BrH.3Ni/c1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8;1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;1-11(19-15-7-3-13(17)4-8-15)12(2)20-16-9-5-14(18)6-10-16;;;;;;;;;/h11-20H,1-10H3;5-12H,1-4H3;3-10H,1-2H3;6*1H;;;/q;;;;;;;;;3*+2/p-6/b29-21+,30-22+;2*19-11+,20-12+;;;;;;;;;.
What are the key properties of N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel)?
N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel) has a molecular weight of 1596.81 g/mol, XLogP of 24.01, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;2-N,3-N-bis(4-fluorophenyl)butane-2,3-diimine;tris(dibromonickel) is sourced from PubChem (CID 159420397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).