dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide

C78H86Cu2N6+2 — CID 155762677

About dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide

dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide (PubChem CID 155762677) has the molecular formula C78H86Cu2N6+2 and a molecular weight of 1234.68 g/mol. Its IUPAC name is dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide.

Molecular Properties

• Compound Name: dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide
• PubChem CID: 155762677
• Molecular Formula: C78H86Cu2N6+2
• Molecular Weight: 1234.68 g/mol
• Exact Mass: 1232.55
• IUPAC Name: dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide
• 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.[Cu+2].[Cu+2].c1ccc2c(c1)[n-]c1ccc(-c3ccc4[n-]c5ccccc5c4c3)cc12
• InChI: InChI=1S/2C27H36N2.C24H14N2.2Cu/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;1-3-7-21-17(5-1)19-13-15(9-11-23(19)25-21)16-10-12-24-20(14-16)18-6-2-4-8-22(18)26-24;;/h2*9-16,18-21H,1-8H3;1-14H;;/q;;-2;2*+2
• InChIKey: XICHLPUEFKKYKL-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 45.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1234.68
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide?

The IUPAC name of dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide (CID 155762677) is dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide.

What is the SMILES notation for dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide?

The canonical SMILES for dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide 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.[Cu+2].[Cu+2].c1ccc2c(c1)[n-]c1ccc(-c3ccc4[n-]c5ccccc5c4c3)cc12.

What is the InChIKey of dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide?

The InChIKey is XICHLPUEFKKYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H36N2.C24H14N2.2Cu/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;1-3-7-21-17(5-1)19-13-15(9-11-23(19)25-21)16-10-12-24-20(14-16)18-6-2-4-8-22(18)26-24;;/h2*9-16,18-21H,1-8H3;1-14H;;/q;;-2;2*+2.

What are the key properties of dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide?

dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide has a molecular weight of 1234.68 g/mol, XLogP of 19.97, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide is sourced from PubChem (CID 155762677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).