dicopper;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;tetrachloride

C43H47BrCl4Cu2N4 — CID 173174680

About dicopper;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;tetrachloride

dicopper;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;tetrachloride (PubChem CID 173174680) has the molecular formula C43H47BrCl4Cu2N4 and a molecular weight of 968.68 g/mol. Its IUPAC name is dicopper;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;tetrachloride.

Molecular Properties

• Compound Name: dicopper;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;tetrachloride
• PubChem CID: 173174680
• Molecular Formula: C43H47BrCl4Cu2N4
• Molecular Weight: 968.68 g/mol
• Exact Mass: 964.03
• IUPAC Name: dicopper;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;tetrachloride
• SMILES: 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.[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2].[Cu+2]
• InChI: InChI=1S/C43H47BrN4.4ClH.2Cu/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;;/q;;;;;2*+2/p-4/b47-24+,48-25+
• InChIKey: NMTUKYZDOXWVBK-FDNQCMSNSA-J
• XLogP: 0.89
• TPSA: 50.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	968.68
LogP ≤ 5	0.89
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 dicopper;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;tetrachloride?

The IUPAC name of dicopper;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;tetrachloride (CID 173174680) is dicopper;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;tetrachloride.

What is the SMILES notation for dicopper;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;tetrachloride?

The canonical SMILES for dicopper;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;tetrachloride is 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.[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2].[Cu+2].

What is the InChIKey of dicopper;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;tetrachloride?

The InChIKey is NMTUKYZDOXWVBK-FDNQCMSNSA-J. The full InChI is InChI=1S/C43H47BrN4.4ClH.2Cu/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;;/q;;;;;2*+2/p-4/b47-24+,48-25+;;;;;;.

What are the key properties of dicopper;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;tetrachloride?

dicopper;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;tetrachloride has a molecular weight of 968.68 g/mol, XLogP of 0.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dicopper;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;tetrachloride is sourced from PubChem (CID 173174680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).