copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol)

C82H64CuN2O4P2 — CID 139213573

About copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol)

copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol) (PubChem CID 139213573) has the molecular formula C82H64CuN2O4P2 and a molecular weight of 1266.92 g/mol. Its IUPAC name is copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol).

Molecular Properties

• Compound Name: copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol)
• PubChem CID: 139213573
• Molecular Formula: C82H64CuN2O4P2
• Molecular Weight: 1266.92 g/mol
• Exact Mass: 1265.36
• IUPAC Name: copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol)
• SMILES: C[C@H](/N=C/c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O)c1ccccc1P(c1ccccc1)c1ccccc1.C[C@H](/N=C/c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O)c1ccccc1P(c1ccccc1)c1ccccc1.[Cu]
• InChI: InChI=1S/2C41H32NO2P.Cu/c2*1-28(34-20-12-13-23-38(34)45(32-16-4-2-5-17-32)33-18-6-3-7-19-33)42-27-31-26-30-15-9-11-22-36(30)40(41(31)44)39-35-21-10-8-14-29(35)24-25-37(39)43;/h2*2-28,43-44H,1H3;/b2*42-27+;/t2*28-;/m00./s1
• InChIKey: YZUFLJSEFKCJMZ-DTJIUNJXSA-N
• XLogP: 18.02
• TPSA: 105.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1266.92
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol)?

The IUPAC name of copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol) (CID 139213573) is copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol).

What is the SMILES notation for copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol)?

The canonical SMILES for copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol) is C[C@H](/N=C/c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O)c1ccccc1P(c1ccccc1)c1ccccc1.C[C@H](/N=C/c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O)c1ccccc1P(c1ccccc1)c1ccccc1.[Cu].

What is the InChIKey of copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol)?

The InChIKey is YZUFLJSEFKCJMZ-DTJIUNJXSA-N. The full InChI is InChI=1S/2C41H32NO2P.Cu/c2*1-28(34-20-12-13-23-38(34)45(32-16-4-2-5-17-32)33-18-6-3-7-19-33)42-27-31-26-30-15-9-11-22-36(30)40(41(31)44)39-35-21-10-8-14-29(35)24-25-37(39)43;/h2*2-28,43-44H,1H3;/b2*42-27+;/t2*28-;/m00./s1.

What are the key properties of copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol)?

copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol) has a molecular weight of 1266.92 g/mol, XLogP of 18.02, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol) is sourced from PubChem (CID 139213573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).