manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate

C35H46Cl2MnN4O13 — CID 139130850

IUPACmanganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate
SMILESCO.CO.CO.CO.CO.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C30H26N4.5CH4O.2ClHO4.Mn/c1-3-11-24(12-4-1)29-18-9-16-27(32-29)22-34(21-26-15-7-8-20-31-26)23-28-17-10-19-30(33-28)25-13-5-2-6-14-25;5*1-2;2*2-1(3,4)5;/h1-20H,21-23H2;5*2H,1H3;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2
InChIKeyQRLILVKCADFOFT-UHFFFAOYSA-L
MW856.61 g/mol
LogP-5.06
Rot. Bonds8

About manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate

manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate (PubChem CID 139130850) has the molecular formula C35H46Cl2MnN4O13 and a molecular weight of 856.61 g/mol. Its IUPAC name is manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate.

Molecular Properties

Compound Namemanganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate
PubChem CID139130850
Molecular FormulaC35H46Cl2MnN4O13
Molecular Weight856.61 g/mol
Exact Mass855.18
IUPAC Namemanganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate
SMILESCO.CO.CO.CO.CO.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C30H26N4.5CH4O.2ClHO4.Mn/c1-3-11-24(12-4-1)29-18-9-16-27(32-29)22-34(21-26-15-7-8-20-31-26)23-28-17-10-19-30(33-28)25-13-5-2-6-14-25;5*1-2;2*2-1(3,4)5;/h1-20H,21-23H2;5*2H,1H3;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2
InChIKeyQRLILVKCADFOFT-UHFFFAOYSA-L
XLogP-5.06
TPSA327.54 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.61
LogP ≤ 5-5.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

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Related Compounds

Tris[2-(p-tolyl)pyridinium-1-yl] iridium(III)
CID 22283734
Terosite
CID 3015176
1-[4-[4-[[bis(2-pyridylmethyl)amino]methyl]phenyl]phenyl]-N,N-bis(2-pyridylmethyl)methanamine
CID 16073097
Benzenamine, N,N-dimethyl-4-[2,2':6',2''-terpyridin]-4'-yl-
CID 11100268
Iron(2+), tris(4,4'-dimethyl-2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 85077
1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 11191257
N-benzyl-N,N',N'-tris(2-pyridylmethyl)-1,2-diaminoethane
CID 12124573
(4-([2,2':6',2''-Terpyridin]-4'-yl)phenyl)boronic acid
CID 85798657
N-butyl-N-[1-[2-[4-[1-(dibutylamino)-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl]-2-phenylethenyl]butan-1-amine
CID 90703924
Iridium(3+);tris(3-methyl-2-phenylpyridine)
CID 18517321
1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 10919579
Dichlororuthenium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 11261228

Frequently Asked Questions

What is the IUPAC name of manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate?
The IUPAC name of manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate (CID 139130850) is manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate.
What is the SMILES notation for manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate?
The canonical SMILES for manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate is CO.CO.CO.CO.CO.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cccc(CN(Cc3ccccn3)Cc3cccc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate?
The InChIKey is QRLILVKCADFOFT-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H26N4.5CH4O.2ClHO4.Mn/c1-3-11-24(12-4-1)29-18-9-16-27(32-29)22-34(21-26-15-7-8-20-31-26)23-28-17-10-19-30(33-28)25-13-5-2-6-14-25;5*1-2;2*2-1(3,4)5;/h1-20H,21-23H2;5*2H,1H3;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2.
What are the key properties of manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate?
manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate has a molecular weight of 856.61 g/mol, XLogP of -5.06, 8 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);methanol;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;diperchlorate is sourced from PubChem (CID 139130850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).