N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide

C43H51Br5N4Ni2 — CID 173107632

About N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide

N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide (PubChem CID 173107632) has the molecular formula C43H51Br5N4Ni2 and a molecular weight of 1140.81 g/mol. Its IUPAC name is N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide.

Molecular Properties

• Compound Name: N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide
• PubChem CID: 173107632
• Molecular Formula: C43H51Br5N4Ni2
• Molecular Weight: 1140.81 g/mol
• Exact Mass: 1133.87
• IUPAC Name: N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide
• SMILES: Br.Br.Br.Br.Cc1c(-c2cc(C(C)C)c(/N=C/c3ccccn3)c(C(C)C)c2)cc(Br)cc1-c1cc(C(C)C)c(/N=C/c2ccccn2)c(C(C)C)c1.[Ni].[Ni]
• InChI: InChI=1S/C43H47BrN4.4BrH.2Ni/c1-26(2)36-18-31(19-37(27(3)4)42(36)47-24-34-14-10-12-16-45-34)40-22-33(44)23-41(30(40)9)32-20-38(28(5)6)43(39(21-32)29(7)8)48-25-35-15-11-13-17-46-35;;;;;;/h10-29H,1-9H3;4*1H;;/b47-24+,48-25+
• InChIKey: DRKWXYOVYZGZDN-FDNQCMSNSA-N
• XLogP: 15.18
• TPSA: 50.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1140.81
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide?

The IUPAC name of N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide (CID 173107632) is N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide.

What is the SMILES notation for N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide?

The canonical SMILES for N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide is Br.Br.Br.Br.Cc1c(-c2cc(C(C)C)c(/N=C/c3ccccn3)c(C(C)C)c2)cc(Br)cc1-c1cc(C(C)C)c(/N=C/c2ccccn2)c(C(C)C)c1.[Ni].[Ni].

What is the InChIKey of N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide?

The InChIKey is DRKWXYOVYZGZDN-FDNQCMSNSA-N. The full InChI is InChI=1S/C43H47BrN4.4BrH.2Ni/c1-26(2)36-18-31(19-37(27(3)4)42(36)47-24-34-14-10-12-16-45-34)40-22-33(44)23-41(30(40)9)32-20-38(28(5)6)43(39(21-32)29(7)8)48-25-35-15-11-13-17-46-35;;;;;;/h10-29H,1-9H3;4*1H;;/b47-24+,48-25+;;;;;;.

What are the key properties of N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide?

N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide has a molecular weight of 1140.81 g/mol, XLogP of 15.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide is sourced from PubChem (CID 173107632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).