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

C120H162N8Ni4-2 — CID 159038945

IUPAC1-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
SMILESCC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.CC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.CC(C)c1cccc(C(C)C)c1/N=C1C(=N/c2c(C(C)C)cccc2C(C)C)/c2cccc3cccc/1c23.[CH3-].[CH3-].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/C36H40N2.2C28H40N2.C26H36N2.2CH3.4Ni/c1-21(2)26-15-11-16-27(22(3)4)33(26)37-35-30-19-9-13-25-14-10-20-31(32(25)30)36(35)38-34-28(23(5)6)17-12-18-29(34)24(7)8;2*1-17(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;1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8;;;;;;/h9-24H,1-8H3;2*11-20H,1-10H3;9-20H,1-8H3;2*1H3;;;;/q;;;;2*-1;;;;/b37-35+,38-36+;2*29-21+,30-22+;27-15+,28-16+;;;;;;
InChIKeyBRFXMBRMWKAFKI-KNIARYQPSA-N
MW1951.44 g/mol
LogP37.89
Rot. Bonds27

About 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

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 (PubChem CID 159038945) has the molecular formula C120H162N8Ni4-2 and a molecular weight of 1951.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159038945
Molecular FormulaC120H162N8Ni4-2
Molecular Weight1951.44 g/mol
Exact Mass1947.03
IUPAC Name1-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
SMILESCC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.CC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.CC(C)c1cccc(C(C)C)c1/N=C1C(=N/c2c(C(C)C)cccc2C(C)C)/c2cccc3cccc/1c23.[CH3-].[CH3-].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/C36H40N2.2C28H40N2.C26H36N2.2CH3.4Ni/c1-21(2)26-15-11-16-27(22(3)4)33(26)37-35-30-19-9-13-25-14-10-20-31(32(25)30)36(35)38-34-28(23(5)6)17-12-18-29(34)24(7)8;2*1-17(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;1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8;;;;;;/h9-24H,1-8H3;2*11-20H,1-10H3;9-20H,1-8H3;2*1H3;;;;/q;;;;2*-1;;;;/b37-35+,38-36+;2*29-21+,30-22+;27-15+,28-16+;;;;;;
InChIKeyBRFXMBRMWKAFKI-KNIARYQPSA-N
XLogP37.89
TPSA98.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001951.44
LogP ≤ 537.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-N,2-N-bis[2,6-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 with MolForge

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Related Compounds

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
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154
1-N-(4-chlorophenyl)-2-N-[2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 90084908
1-N,2-N-bis[4-methyl-2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 102242944
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
4-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]-N,N-dimethylaniline
CID 90084884
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
2-N-[2,6-di(propan-2-yl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
CID 90086005
1-N,2-N-bis[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]acenaphthylene-1,2-diimine
CID 21083110
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]ethane-1,2-diimine;dibromonickel
CID 21339155

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.CC(=N\c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.CC(C)c1cccc(C(C)C)c1/N=C1C(=N/c2c(C(C)C)cccc2C(C)C)/c2cccc3cccc/1c23.[CH3-].[CH3-].[Ni].[Ni].[Ni].[Ni].
What is the InChIKey of 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?
The InChIKey is BRFXMBRMWKAFKI-KNIARYQPSA-N. The full InChI is InChI=1S/C36H40N2.2C28H40N2.C26H36N2.2CH3.4Ni/c1-21(2)26-15-11-16-27(22(3)4)33(26)37-35-30-19-9-13-25-14-10-20-31(32(25)30)36(35)38-34-28(23(5)6)17-12-18-29(34)24(7)8;2*1-17(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;1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8;;;;;;/h9-24H,1-8H3;2*11-20H,1-10H3;9-20H,1-8H3;2*1H3;;;;/q;;;;2*-1;;;;/b37-35+,38-36+;2*29-21+,30-22+;27-15+,28-16+;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 1951.44 g/mol, XLogP of 37.89, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159038945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).