bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+)

C40H36F24FeN6Sb2 — CID 164672676

About bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+)

bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+) (PubChem CID 164672676) has the molecular formula C40H36F24FeN6Sb2 and a molecular weight of 1356.09 g/mol. Its IUPAC name is bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+).

Molecular Properties

• Compound Name: bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+)
• PubChem CID: 164672676
• Molecular Formula: C40H36F24FeN6Sb2
• Molecular Weight: 1356.09 g/mol
• Exact Mass: 1354.00
• IUPAC Name: bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+)
• SMILES: CC#N.CC#N.FC(F)(F)c1cccc(C(F)(F)F)c1-c1ccc(CN2CCC[C@@H]2[C@H]2CCCN2Cc2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cn2)nc1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[Fe+2]
• InChI: InChI=1S/C36H30F12N4.2C2H3N.12FH.Fe.2Sb/c37-33(38,39)25-5-1-6-26(34(40,41)42)31(25)21-11-13-23(49-17-21)19-51-15-3-9-29(51)30-10-4-16-52(30)20-24-14-12-22(18-50-24)32-27(35(43,44)45)7-2-8-28(32)36(46,47)48;2*1-2-3;;;;;;;;;;;;;;;/h1-2,5-8,11-14,17-18,29-30H,3-4,9-10,15-16,19-20H2;2*1H3;12*1H;;;/q;;;;;;;;;;;;;;;+2;2*+5/p-12/t29-,30-;;;;;;;;;;;;;;;;;/m1................./s1
• InChIKey: KOTRAVMRTFNGFR-USJXBPINSA-B
• XLogP: 15.85
• TPSA: 79.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1356.09
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+)?

The IUPAC name of bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+) (CID 164672676) is bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+).

What is the SMILES notation for bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+)?

The canonical SMILES for bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+) is CC#N.CC#N.FC(F)(F)c1cccc(C(F)(F)F)c1-c1ccc(CN2CCC[C@@H]2[C@H]2CCCN2Cc2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cn2)nc1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[Fe+2].

What is the InChIKey of bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+)?

The InChIKey is KOTRAVMRTFNGFR-USJXBPINSA-B. The full InChI is InChI=1S/C36H30F12N4.2C2H3N.12FH.Fe.2Sb/c37-33(38,39)25-5-1-6-26(34(40,41)42)31(25)21-11-13-23(49-17-21)19-51-15-3-9-29(51)30-10-4-16-52(30)20-24-14-12-22(18-50-24)32-27(35(43,44)45)7-2-8-28(32)36(46,47)48;2*1-2-3;;;;;;;;;;;;;;;/h1-2,5-8,11-14,17-18,29-30H,3-4,9-10,15-16,19-20H2;2*1H3;12*1H;;;/q;;;;;;;;;;;;;;;+2;2*+5/p-12/t29-,30-;;;;;;;;;;;;;;;;;/m1................./s1.

What are the key properties of bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+)?

bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+) has a molecular weight of 1356.09 g/mol, XLogP of 15.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(hexafluoroantimony(1-));iron(2+) is sourced from PubChem (CID 164672676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).