bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride

C91H104As2Cl6N4Pd2 — CID 139164892

About bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride

bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride (PubChem CID 139164892) has the molecular formula C91H104As2Cl6N4Pd2 and a molecular weight of 1829.26 g/mol. Its IUPAC name is bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride.

Molecular Properties

• Compound Name: bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride
• PubChem CID: 139164892
• Molecular Formula: C91H104As2Cl6N4Pd2
• Molecular Weight: 1829.26 g/mol
• Exact Mass: 1824.29
• IUPAC Name: bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride
• SMILES: CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.ClCCl.[Cl-].[Cl-].[Cl-].[Cl-].[Pd+2].[Pd+2].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C27H36N2.2C18H15As.CH2Cl2.4ClH.2Pd/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-3;;;;;;/h2*9-16,18-21H,1-8H3;2*1-15H;1H2;4*1H;;/q;;;;;;;;;2*+2/p-4
• InChIKey: AZOCQJUJUQHDFZ-UHFFFAOYSA-J
• XLogP: 7.93
• TPSA: 17.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 18
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1829.26
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride?

The IUPAC name of bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride (CID 139164892) is bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride.

What is the SMILES notation for bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride?

The canonical SMILES for bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride is CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.ClCCl.[Cl-].[Cl-].[Cl-].[Cl-].[Pd+2].[Pd+2].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride?

The InChIKey is AZOCQJUJUQHDFZ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C27H36N2.2C18H15As.CH2Cl2.4ClH.2Pd/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-3;;;;;;/h2*9-16,18-21H,1-8H3;2*1-15H;1H2;4*1H;;/q;;;;;;;;;2*+2/p-4.

What are the key properties of bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride?

bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride has a molecular weight of 1829.26 g/mol, XLogP of 7.93, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);dichloromethane;bis(palladium(2+));bis(triphenylarsane);tetrachloride is sourced from PubChem (CID 139164892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).