bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate

C40H30Cl2MnN14O8 — CID 139142958

IUPACbis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate
SMILESCC#N.CC#N.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1.c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1
InChIInChI=1S/2C18H12N6.2C2H3N.2ClHO4.Mn/c2*1-3-19-4-2-13(1)14-9-15(17-11-20-5-7-22-17)24-16(10-14)18-12-21-6-8-23-18;2*1-2-3;2*2-1(3,4)5;/h2*1-12H;2*1H3;2*(H,2,3,4,5);/q;;;;;;+2/p-2
InChIKeyREKLDNSFUAIQNT-UHFFFAOYSA-L
MW960.61 g/mol
LogP-2.34
Rot. Bonds6

About bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate

bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate (PubChem CID 139142958) has the molecular formula C40H30Cl2MnN14O8 and a molecular weight of 960.61 g/mol. Its IUPAC name is bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate.

Molecular Properties

Compound Namebis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate
PubChem CID139142958
Molecular FormulaC40H30Cl2MnN14O8
Molecular Weight960.61 g/mol
Exact Mass959.11
IUPAC Namebis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate
SMILESCC#N.CC#N.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1.c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1
InChIInChI=1S/2C18H12N6.2C2H3N.2ClHO4.Mn/c2*1-3-19-4-2-13(1)14-9-15(17-11-20-5-7-22-17)24-16(10-14)18-12-21-6-8-23-18;2*1-2-3;2*2-1(3,4)5;/h2*1-12H;2*1H3;2*(H,2,3,4,5);/q;;;;;;+2/p-2
InChIKeyREKLDNSFUAIQNT-UHFFFAOYSA-L
XLogP-2.34
TPSA386.74 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.61
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate with MolForge

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Related Compounds

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Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
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[mu-1,2-Bis(4-pyridyl)ethane-kappa^2^N:N']bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')silver(I)] bis(trifluoromethanesulfonate)
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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate?
The IUPAC name of bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate (CID 139142958) is bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate.
What is the SMILES notation for bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate?
The canonical SMILES for bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate is CC#N.CC#N.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1.c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1.
What is the InChIKey of bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate?
The InChIKey is REKLDNSFUAIQNT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H12N6.2C2H3N.2ClHO4.Mn/c2*1-3-19-4-2-13(1)14-9-15(17-11-20-5-7-22-17)24-16(10-14)18-12-21-6-8-23-18;2*1-2-3;2*2-1(3,4)5;/h2*1-12H;2*1H3;2*(H,2,3,4,5);/q;;;;;;+2/p-2.
What are the key properties of bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate?
bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate has a molecular weight of 960.61 g/mol, XLogP of -2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate is sourced from PubChem (CID 139142958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).