acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate)

C48H37F6MnN5O6S2 — CID 139124245

About acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate)

acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate) (PubChem CID 139124245) has the molecular formula C48H37F6MnN5O6S2 and a molecular weight of 1012.91 g/mol. Its IUPAC name is acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate)
• PubChem CID: 139124245
• Molecular Formula: C48H37F6MnN5O6S2
• Molecular Weight: 1012.91 g/mol
• Exact Mass: 1012.15
• IUPAC Name: acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate)
• SMILES: CC#N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2].c1ccc(-c2cc3ccccc3c(-c3c(NCc4ccccn4)c(-c4ccccc4)cc4ccccc34)c2NCc2ccccn2)cc1
• InChI: InChI=1S/C44H34N4.C2H3N.2CHF3O3S.Mn/c1-3-15-31(16-4-1)39-27-33-19-7-9-23-37(33)41(43(39)47-29-35-21-11-13-25-45-35)42-38-24-10-8-20-34(38)28-40(32-17-5-2-6-18-32)44(42)48-30-36-22-12-14-26-46-36;1-2-3;2*2-1(3,4)8(5,6)7;/h1-28,47-48H,29-30H2;1H3;2*(H,5,6,7);/q;;;;+2/p-2
• InChIKey: WUZBCFIGRAUSHM-UHFFFAOYSA-L
• XLogP: 11.64
• TPSA: 188.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1012.91
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate)?

The IUPAC name of acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate) (CID 139124245) is acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate).

What is the SMILES notation for acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate)?

The canonical SMILES for acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate) is CC#N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2].c1ccc(-c2cc3ccccc3c(-c3c(NCc4ccccn4)c(-c4ccccc4)cc4ccccc34)c2NCc2ccccn2)cc1.

What is the InChIKey of acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate)?

The InChIKey is WUZBCFIGRAUSHM-UHFFFAOYSA-L. The full InChI is InChI=1S/C44H34N4.C2H3N.2CHF3O3S.Mn/c1-3-15-31(16-4-1)39-27-33-19-7-9-23-37(33)41(43(39)47-29-35-21-11-13-25-45-35)42-38-24-10-8-20-34(38)28-40(32-17-5-2-6-18-32)44(42)48-30-36-22-12-14-26-46-36;1-2-3;2*2-1(3,4)8(5,6)7;/h1-28,47-48H,29-30H2;1H3;2*(H,5,6,7);/q;;;;+2/p-2.

What are the key properties of acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate)?

acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate) has a molecular weight of 1012.91 g/mol, XLogP of 11.64, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;manganese(2+);3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139124245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).