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;manganese(2+)

C40H36F12MnN6+2 — CID 164672689

IUPACbis(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;manganese(2+)
SMILESCC#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.[Mn+2]
InChIInChI=1S/C36H30F12N4.2C2H3N.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;2*1-2-3;/h1-2,5-8,11-14,17-18,29-30H,3-4,9-10,15-16,19-20H2;2*1H3;/q;;;+2/t29-,30-;;;/m1.../s1
InChIKeyYXJPBPRXIRNAMZ-ARKUPESYSA-N
MW883.68 g/mol
LogP11.57
Rot. Bonds7

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;manganese(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;manganese(2+) (PubChem CID 164672689) has the molecular formula C40H36F12MnN6+2 and a molecular weight of 883.68 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;manganese(2+).

Molecular Properties

Compound Namebis(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;manganese(2+)
PubChem CID164672689
Molecular FormulaC40H36F12MnN6+2
Molecular Weight883.68 g/mol
Exact Mass883.22
IUPAC Namebis(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;manganese(2+)
SMILESCC#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.[Mn+2]
InChIInChI=1S/C36H30F12N4.2C2H3N.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;2*1-2-3;/h1-2,5-8,11-14,17-18,29-30H,3-4,9-10,15-16,19-20H2;2*1H3;/q;;;+2/t29-,30-;;;/m1.../s1
InChIKeyYXJPBPRXIRNAMZ-ARKUPESYSA-N
XLogP11.57
TPSA79.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.68
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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;manganese(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-fluoro-5-[(1R,2R,4R)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridine-2-carbonitrile
CID 44427420
N,N-bis(pyridin-2-ylmethyl)-1-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]phenyl]methanamine
CID 155560382
3-[(3-Pyridin-3-ylphenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane
CID 134790127
N,N-bis(pyridin-2-ylmethyl)-1-[3-[2-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]phenyl]methanamine
CID 155515922
3-[(2S)-1-methylpyrrolidin-2-yl]-1-[5-[2-[5-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]pentyl]phenyl]pentyl]pyridin-1-ium dibromide
CID 24755212
3,8-Bis[[2-(3-methylphenyl)-4-pyridinyl]methyl]-3,8-diazabicyclo[3.2.1]octane
CID 44426631
3-(1-Methylpyrrolidin-2-yl)-1-[3-[4-[4-[3-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]propyl]phenyl]phenyl]propyl]pyridin-1-ium dibromide
CID 46231881
1,1'-Bis((5-(2,6-bis(trifluoromethyl)phenyl)pyridin-2-yl)methyl)-2,2'-bipyrrolidine
CID 117941045
4'-[2-(Trifluoromethyl)phenyl]-2,2':6',2''-terpyridine
CID 12090803
2,2'-(4,4'-Bis(trifluoromethyl)-[1,1'-biphenyl]-2,2'-diyl)dipyridine
CID 101422913
2-[2-[2-Pyridin-2-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]pyridine
CID 102287598
bis(dimethylamido)(3,3'-bis(3,5-bis(trifluoromethylphenyl))-5,5-dimethyldipyrrolylmethane)titanium(IV)
CID 129316385

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;manganese(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;manganese(2+) (CID 164672689) 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;manganese(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;manganese(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;manganese(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.[Mn+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;manganese(2+)?
The InChIKey is YXJPBPRXIRNAMZ-ARKUPESYSA-N. The full InChI is InChI=1S/C36H30F12N4.2C2H3N.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;2*1-2-3;/h1-2,5-8,11-14,17-18,29-30H,3-4,9-10,15-16,19-20H2;2*1H3;/q;;;+2/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;manganese(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;manganese(2+) has a molecular weight of 883.68 g/mol, XLogP of 11.57, 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;manganese(2+) is sourced from PubChem (CID 164672689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).