manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate

C60H45MnN2O4 — CID 11981327

About manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate

manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate (PubChem CID 11981327) has the molecular formula C60H45MnN2O4 and a molecular weight of 912.97 g/mol. Its IUPAC name is manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate.

Molecular Properties

• Compound Name: manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate
• PubChem CID: 11981327
• Molecular Formula: C60H45MnN2O4
• Molecular Weight: 912.97 g/mol
• Exact Mass: 912.28
• IUPAC Name: manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate
• SMILES: CC(=O)[O-].Cc1ccc2ccccc2c1-c1c([O-])c(/C=N/C(c2ccccc2)C(/N=C/c2cc3ccccc3c(-c3c(C)ccc4ccccc34)c2[O-])c2ccccc2)cc2ccccc12.[Mn+3]
• InChI: InChI=1S/C58H44N2O2.C2H4O2.Mn/c1-37-29-31-39-17-9-13-25-47(39)51(37)53-49-27-15-11-23-43(49)33-45(57(53)61)35-59-55(41-19-5-3-6-20-41)56(42-21-7-4-8-22-42)60-36-46-34-44-24-12-16-28-50(44)54(58(46)62)52-38(2)30-32-40-18-10-14-26-48(40)52;1-2(3)4;/h3-36,55-56,61-62H,1-2H3;1H3,(H,3,4);/q;;+3/p-3/b59-35+,60-36+
• InChIKey: ROKIYCPEYXHYJI-MSVHKBDUSA-K
• XLogP: 12.17
• TPSA: 110.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.97
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate?

The IUPAC name of manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate (CID 11981327) is manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate.

What is the SMILES notation for manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate?

The canonical SMILES for manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate is CC(=O)[O-].Cc1ccc2ccccc2c1-c1c([O-])c(/C=N/C(c2ccccc2)C(/N=C/c2cc3ccccc3c(-c3c(C)ccc4ccccc34)c2[O-])c2ccccc2)cc2ccccc12.[Mn+3].

What is the InChIKey of manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate?

The InChIKey is ROKIYCPEYXHYJI-MSVHKBDUSA-K. The full InChI is InChI=1S/C58H44N2O2.C2H4O2.Mn/c1-37-29-31-39-17-9-13-25-47(39)51(37)53-49-27-15-11-23-43(49)33-45(57(53)61)35-59-55(41-19-5-3-6-20-41)56(42-21-7-4-8-22-42)60-36-46-34-44-24-12-16-28-50(44)54(58(46)62)52-38(2)30-32-40-18-10-14-26-48(40)52;1-2(3)4;/h3-36,55-56,61-62H,1-2H3;1H3,(H,3,4);/q;;+3/p-3/b59-35+,60-36+;;.

What are the key properties of manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate?

manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate has a molecular weight of 912.97 g/mol, XLogP of 12.17, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for manganese(3+);1-(2-methylnaphthalen-1-yl)-3-[[2-[[4-(2-methylnaphthalen-1-yl)-3-oxidonaphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-olate;acetate is sourced from PubChem (CID 11981327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).