copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide

C33H43CuN3 — CID 177476772

About copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide

copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide (PubChem CID 177476772) has the molecular formula C33H43CuN3 and a molecular weight of 545.27 g/mol. Its IUPAC name is copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide.

Molecular Properties

• Compound Name: copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide
• PubChem CID: 177476772
• Molecular Formula: C33H43CuN3
• Molecular Weight: 545.27 g/mol
• Exact Mass: 544.28
• IUPAC Name: copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide
• SMILES: CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.[Cu+2].[NH-]c1ccccc1
• InChI: InChI=1S/C27H37N2.C6H6N.Cu/c1-18(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;7-6-4-2-1-3-5-6;/h9-21H,1-8H3;1-5,7H;/q2*-1;+2
• InChIKey: PVGNNROLGYWJOU-UHFFFAOYSA-N
• XLogP: 10.47
• TPSA: 30.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.27
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide?

The IUPAC name of copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide (CID 177476772) is copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide.

What is the SMILES notation for copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide?

The canonical SMILES for copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.[Cu+2].[NH-]c1ccccc1.

What is the InChIKey of copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide?

The InChIKey is PVGNNROLGYWJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N2.C6H6N.Cu/c1-18(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;7-6-4-2-1-3-5-6;/h9-21H,1-8H3;1-5,7H;/q2*-1;+2.

What are the key properties of copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide?

copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide has a molecular weight of 545.27 g/mol, XLogP of 10.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide is sourced from PubChem (CID 177476772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).