tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate

C92H108Cl4Mn4N20O20 — CID 139131145

IUPACtetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate
SMILESCc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.[C-]#[N+]C.[C-]#[N+]C.[C-]#[N+]C.[C-]#[N+]C.[Mn+3].[Mn+3].[Mn+3].[Mn+3].[O-2].[O-2].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C21H24N4.4C2H3N.4ClHO4.4Mn.4O/c4*1-17-7-5-10-20(23-17)15-25(14-12-19-9-3-4-13-22-19)16-21-11-6-8-18(2)24-21;4*1-3-2;4*2-1(3,4)5;;;;;;;;/h4*3-11,13H,12,14-16H2,1-2H3;4*1H3;4*(H,2,3,4,5);;;;;;;;/q;;;;;;;;;;;;4*+3;4*-2/p-4
InChIKeyNIOLJUDLJMIHRB-UHFFFAOYSA-J
MW2175.56 g/mol
LogP-2.43
Rot. Bonds28

About tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate

tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate (PubChem CID 139131145) has the molecular formula C92H108Cl4Mn4N20O20 and a molecular weight of 2175.56 g/mol. Its IUPAC name is tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate.

Molecular Properties

Compound Nametetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate
PubChem CID139131145
Molecular FormulaC92H108Cl4Mn4N20O20
Molecular Weight2175.56 g/mol
Exact Mass2172.43
IUPAC Nametetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate
SMILESCc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.[C-]#[N+]C.[C-]#[N+]C.[C-]#[N+]C.[C-]#[N+]C.[Mn+3].[Mn+3].[Mn+3].[Mn+3].[O-2].[O-2].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C21H24N4.4C2H3N.4ClHO4.4Mn.4O/c4*1-17-7-5-10-20(23-17)15-25(14-12-19-9-3-4-13-22-19)16-21-11-6-8-18(2)24-21;4*1-3-2;4*2-1(3,4)5;;;;;;;;/h4*3-11,13H,12,14-16H2,1-2H3;4*1H3;4*(H,2,3,4,5);;;;;;;;/q;;;;;;;;;;;;4*+3;4*-2/p-4
InChIKeyNIOLJUDLJMIHRB-UHFFFAOYSA-J
XLogP-2.43
TPSA668.04 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002175.56
LogP ≤ 5-2.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
dicopper;bis(N-benzyl-2-pyridin-2-yl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine);methanolate;diperchlorate
CID 139130514
Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate
CID 139057872
bis(2,2'-bipyridine-kappa^2^N,N')platinum(II) bis(perchlorate)
CID 139068505
Tris(2,2'-bipyridine)diperchloratoruthenium
CID 139144531
Dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate
CID 139041411
Copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate
CID 139053507
Dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate
CID 139053876
ZINC;tris(2-pyridin-2-ylpyridine);diperchlorate
CID 139054418
Tris(2,2'-bipyridine)nickel(II) bis(perchlorate)
CID 139065764
Bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium)
CID 139066852
Di-mu-acetato-kappa^4^O:O'-bis[bis(2,2'-bipyridine-kappa^2^N,N')manganese(II)] bis(perchlorate)
CID 139068678

Frequently Asked Questions

What is the IUPAC name of tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate?
The IUPAC name of tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate (CID 139131145) is tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate.
What is the SMILES notation for tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate?
The canonical SMILES for tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate is Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.Cc1cccc(CN(CCc2ccccn2)Cc2cccc(C)n2)n1.[C-]#[N+]C.[C-]#[N+]C.[C-]#[N+]C.[C-]#[N+]C.[Mn+3].[Mn+3].[Mn+3].[Mn+3].[O-2].[O-2].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate?
The InChIKey is NIOLJUDLJMIHRB-UHFFFAOYSA-J. The full InChI is InChI=1S/4C21H24N4.4C2H3N.4ClHO4.4Mn.4O/c4*1-17-7-5-10-20(23-17)15-25(14-12-19-9-3-4-13-22-19)16-21-11-6-8-18(2)24-21;4*1-3-2;4*2-1(3,4)5;;;;;;;;/h4*3-11,13H,12,14-16H2,1-2H3;4*1H3;4*(H,2,3,4,5);;;;;;;;/q;;;;;;;;;;;;4*+3;4*-2/p-4.
What are the key properties of tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate?
tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate has a molecular weight of 2175.56 g/mol, XLogP of -2.43, 28 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-ylethanamine);isocyanomethane;tetrakis(manganese(3+));tetrakis(oxygen(2-));tetraperchlorate is sourced from PubChem (CID 139131145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).