1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold

C80H88Au2Cl2N6 — CID 155570071

About 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold

1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold (PubChem CID 155570071) has the molecular formula C80H88Au2Cl2N6 and a molecular weight of 1598.47 g/mol. Its IUPAC name is 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold.

Molecular Properties

• Compound Name: 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold
• PubChem CID: 155570071
• Molecular Formula: C80H88Au2Cl2N6
• Molecular Weight: 1598.47 g/mol
• Exact Mass: 1596.58
• IUPAC Name: 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(/[C-]=N/N=[C-]/c2c(-c3ccccc3)[n+](-c3c(C(C)C)cccc3C(C)C)c(-c3ccccc3)n2-c2c(C(C)C)cccc2C(C)C)c(-c2ccccc2)[n+](-c2c(C(C)C)cccc2C(C)C)c1-c1ccccc1.Cl[Au].Cl[Au]
• InChI: InChI=1S/C80H88N6.2Au.2ClH/c1-51(2)63-41-29-42-64(52(3)4)75(63)83-71(73(59-33-21-17-22-34-59)85(79(83)61-37-25-19-26-38-61)77-67(55(9)10)45-31-46-68(77)56(11)12)49-81-82-50-72-74(60-35-23-18-24-36-60)86(78-69(57(13)14)47-32-48-70(78)58(15)16)80(62-39-27-20-28-40-62)84(72)76-65(53(5)6)43-30-44-66(76)54(7)8;;;;/h17-48,51-58H,1-16H3;;;2*1H/q;2*+1;;/p-2
• InChIKey: FYIQTJPSKGXQDS-UHFFFAOYSA-L
• XLogP: 22.06
• TPSA: 42.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1598.47
LogP ≤ 5	22.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold?

The IUPAC name of 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold (CID 155570071) is 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold.

What is the SMILES notation for 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold?

The canonical SMILES for 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold is CC(C)c1cccc(C(C)C)c1-n1c(/[C-]=N/N=[C-]/c2c(-c3ccccc3)[n+](-c3c(C(C)C)cccc3C(C)C)c(-c3ccccc3)n2-c2c(C(C)C)cccc2C(C)C)c(-c2ccccc2)[n+](-c2c(C(C)C)cccc2C(C)C)c1-c1ccccc1.Cl[Au].Cl[Au].

What is the InChIKey of 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold?

The InChIKey is FYIQTJPSKGXQDS-UHFFFAOYSA-L. The full InChI is InChI=1S/C80H88N6.2Au.2ClH/c1-51(2)63-41-29-42-64(52(3)4)75(63)83-71(73(59-33-21-17-22-34-59)85(79(83)61-37-25-19-26-38-61)77-67(55(9)10)45-31-46-68(77)56(11)12)49-81-82-50-72-74(60-35-23-18-24-36-60)86(78-69(57(13)14)47-32-48-70(78)58(15)16)80(62-39-27-20-28-40-62)84(72)76-65(53(5)6)43-30-44-66(76)54(7)8;;;;/h17-48,51-58H,1-16H3;;;2*1H/q;2*+1;;/p-2.

What are the key properties of 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold?

1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold has a molecular weight of 1598.47 g/mol, XLogP of 22.06, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]-N-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2,5-diphenylimidazol-1-ium-4-yl]methylideneamino]methanimine;chlorogold is sourced from PubChem (CID 155570071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).