copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate)

C52H42CuN2O6 — CID 139173977

About copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate)

copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate) (PubChem CID 139173977) has the molecular formula C52H42CuN2O6 and a molecular weight of 854.46 g/mol. Its IUPAC name is copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate).

Molecular Properties

• Compound Name: copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate)
• PubChem CID: 139173977
• Molecular Formula: C52H42CuN2O6
• Molecular Weight: 854.46 g/mol
• Exact Mass: 853.23
• IUPAC Name: copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate)
• SMILES: COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1.COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1.[Cu+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
• InChI: InChI=1S/C24H16N2.2C14H14O3.Cu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h1-16H;2*3-9H,1-2H3,(H,15,16);/q;;;+2/p-2/t;2*9-;/m.11./s1
• InChIKey: DSRWLHRVIOOMSV-ARBIIMOYSA-L
• XLogP: 9.52
• TPSA: 124.50 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.46
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate)?

The IUPAC name of copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate) (CID 139173977) is copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate).

What is the SMILES notation for copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate)?

The canonical SMILES for copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate) is COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1.COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1.[Cu+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.

What is the InChIKey of copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate)?

The InChIKey is DSRWLHRVIOOMSV-ARBIIMOYSA-L. The full InChI is InChI=1S/C24H16N2.2C14H14O3.Cu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h1-16H;2*3-9H,1-2H3,(H,15,16);/q;;;+2/p-2/t;2*9-;/m.11./s1.

What are the key properties of copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate)?

copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate) has a molecular weight of 854.46 g/mol, XLogP of 9.52, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for copper;4,7-diphenyl-1,10-phenanthroline;bis((2R)-2-(6-methoxynaphthalen-2-yl)propanoate) is sourced from PubChem (CID 139173977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).