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;dichloromanganese

C36H30Cl2F12MnN4 — CID 156664001

IUPAC5-[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;dichloromanganese
SMILESCl[Mn]Cl.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
InChIInChI=1S/C36H30F12N4.2ClH.Mn/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;;;/h1-2,5-8,11-14,17-18,29-30H,3-4,9-10,15-16,19-20H2;2*1H;/q;;;+2/p-2/t29-,30-;;;/m1.../s1
InChIKeyICFKALXXAGYZLV-ARKUPESYSA-L
MW872.48 g/mol
LogP11.89
Rot. Bonds7

About 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;dichloromanganese

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;dichloromanganese (PubChem CID 156664001) has the molecular formula C36H30Cl2F12MnN4 and a molecular weight of 872.48 g/mol. Its IUPAC name is 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;dichloromanganese.

Molecular Properties

Compound Name5-[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;dichloromanganese
PubChem CID156664001
Molecular FormulaC36H30Cl2F12MnN4
Molecular Weight872.48 g/mol
Exact Mass871.10
IUPAC Name5-[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;dichloromanganese
SMILESCl[Mn]Cl.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
InChIInChI=1S/C36H30F12N4.2ClH.Mn/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;;;/h1-2,5-8,11-14,17-18,29-30H,3-4,9-10,15-16,19-20H2;2*1H;/q;;;+2/p-2/t29-,30-;;;/m1.../s1
InChIKeyICFKALXXAGYZLV-ARKUPESYSA-L
XLogP11.89
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.48
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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;dichloromanganese with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;dichloromanganese?
The IUPAC name of 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;dichloromanganese (CID 156664001) is 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;dichloromanganese.
What is the SMILES notation for 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;dichloromanganese?
The canonical SMILES for 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;dichloromanganese is Cl[Mn]Cl.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.
What is the InChIKey of 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;dichloromanganese?
The InChIKey is ICFKALXXAGYZLV-ARKUPESYSA-L. The full InChI is InChI=1S/C36H30F12N4.2ClH.Mn/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;;;/h1-2,5-8,11-14,17-18,29-30H,3-4,9-10,15-16,19-20H2;2*1H;/q;;;+2/p-2/t29-,30-;;;/m1.../s1.
What are the key properties of 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;dichloromanganese?
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;dichloromanganese has a molecular weight of 872.48 g/mol, XLogP of 11.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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;dichloromanganese is sourced from PubChem (CID 156664001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).