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)

C86H108Br6N6Ni3 — CID 158886322

About 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)

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) (PubChem CID 158886322) has the molecular formula C86H108Br6N6Ni3 and a molecular weight of 1881.35 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 158886322
• Molecular Formula: C86H108Br6N6Ni3
• Molecular Weight: 1881.35 g/mol
• Exact Mass: 1872.18
• IUPAC Name: 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)
• SMILES: Br[Ni]Br.Br[Ni]Br.Br[Ni]Br.CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.CCc1cccc(C(C)C)c1/N=C(C)/C(C)=N/c1c(CC)cccc1C(C)C.CCc1cccc(C(C)C)c1/N=C1C(=N/c2c(CC)cccc2C(C)C)/c2cccc3cccc/1c23
• InChI: InChI=1S/C34H36N2.2C26H36N2.6BrH.3Ni/c1-7-23-13-9-17-26(21(3)4)31(23)35-33-28-19-11-15-25-16-12-20-29(30(25)28)34(33)36-32-24(8-2)14-10-18-27(32)22(5)6;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;1-9-21-13-11-15-23(17(3)4)25(21)27-19(7)20(8)28-26-22(10-2)14-12-16-24(26)18(5)6;;;;;;;;;/h9-22H,7-8H2,1-6H3;9-20H,1-8H3;11-18H,9-10H2,1-8H3;6*1H;;;/q;;;;;;;;;3*+2/p-6/b35-33+,36-34+;27-15+,28-16+;27-19+,28-20+
• InChIKey: JDRFSLJNWMRCNZ-YGMULEPDSA-H
• XLogP: 30.76
• TPSA: 74.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1881.35
LogP ≤ 5	30.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

The canonical SMILES for 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) is Br[Ni]Br.Br[Ni]Br.Br[Ni]Br.CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.CCc1cccc(C(C)C)c1/N=C(C)/C(C)=N/c1c(CC)cccc1C(C)C.CCc1cccc(C(C)C)c1/N=C1C(=N/c2c(CC)cccc2C(C)C)/c2cccc3cccc/1c23.

What is the InChIKey of 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)?

The InChIKey is JDRFSLJNWMRCNZ-YGMULEPDSA-H. The full InChI is InChI=1S/C34H36N2.2C26H36N2.6BrH.3Ni/c1-7-23-13-9-17-26(21(3)4)31(23)35-33-28-19-11-15-25-16-12-20-29(30(25)28)34(33)36-32-24(8-2)14-10-18-27(32)22(5)6;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;1-9-21-13-11-15-23(17(3)4)25(21)27-19(7)20(8)28-26-22(10-2)14-12-16-24(26)18(5)6;;;;;;;;;/h9-22H,7-8H2,1-6H3;9-20H,1-8H3;11-18H,9-10H2,1-8H3;6*1H;;;/q;;;;;;;;;3*+2/p-6/b35-33+,36-34+;27-15+,28-16+;27-19+,28-20+;;;;;;;;;.

What are the key properties of 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)?

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) has a molecular weight of 1881.35 g/mol, XLogP of 30.76, 20 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-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) is sourced from PubChem (CID 158886322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).