copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane

C56H72CuN8 — CID 173350191

About copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane

copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane (PubChem CID 173350191) has the molecular formula C56H72CuN8 and a molecular weight of 920.79 g/mol. Its IUPAC name is copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane.

Molecular Properties

• Compound Name: copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
• PubChem CID: 173350191
• Molecular Formula: C56H72CuN8
• Molecular Weight: 920.79 g/mol
• Exact Mass: 919.52
• IUPAC Name: copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
• SMILES: [Cu].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C3C4NC5NC(NC6NC(NC7NC(NC(N4)C3C2c2ccccc2)C2CCCCC72)C2CCCCC62)C2CCCCC52)cc1
• InChI: InChI=1S/C56H72N8.Cu/c1-5-19-33(20-6-1)43-44(34-21-7-2-8-22-34)46(36-25-11-4-12-26-36)48-47(45(43)35-23-9-3-10-24-35)55-62-53-41-31-17-15-29-39(41)51(60-53)58-49-37-27-13-14-28-38(37)50(57-49)59-52-40-30-16-18-32-42(40)54(61-52)63-56(48)64-55;/h1-12,19-26,37-64H,13-18,27-32H2
• InChIKey: KYKSLAPJPWKLQG-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 96.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	920.79
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?

The IUPAC name of copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane (CID 173350191) is copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane.

What is the SMILES notation for copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?

The canonical SMILES for copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane is [Cu].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C3C4NC5NC(NC6NC(NC7NC(NC(N4)C3C2c2ccccc2)C2CCCCC72)C2CCCCC62)C2CCCCC52)cc1.

What is the InChIKey of copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?

The InChIKey is KYKSLAPJPWKLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H72N8.Cu/c1-5-19-33(20-6-1)43-44(34-21-7-2-8-22-34)46(36-25-11-4-12-26-36)48-47(45(43)35-23-9-3-10-24-35)55-62-53-41-31-17-15-29-39(41)51(60-53)58-49-37-27-13-14-28-38(37)50(57-49)59-52-40-30-16-18-32-42(40)54(61-52)63-56(48)64-55;/h1-12,19-26,37-64H,13-18,27-32H2;.

What are the key properties of copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?

copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane has a molecular weight of 920.79 g/mol, XLogP of 8.18, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane is sourced from PubChem (CID 173350191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).