bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate

C49H52Cl2MnN24O11 — CID 139045171

IUPACbis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate
SMILESCO.N/C(=N\N=C(/N)c1cccc(-c2cccc(/C(N)=N/N=C(\N)c3ccccn3)n2)n1)c1ccccn1.N/C(=N\N=C(/N)c1cccc(-c2cccc(/C(N)=N/N=C(\N)c3ccccn3)n2)n1)c1ccccn1.O.O.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C24H22N12.CH4O.2ClHO4.Mn.2H2O/c2*25-21(17-7-1-3-13-29-17)33-35-23(27)19-11-5-9-15(31-19)16-10-6-12-20(32-16)24(28)36-34-22(26)18-8-2-4-14-30-18;1-2;2*2-1(3,4)5;;;/h2*1-14H,(H2,25,33)(H2,26,34)(H2,27,35)(H2,28,36);2H,1H3;2*(H,2,3,4,5);;2*1H2/q;;;;;+2;;/p-2
InChIKeyLCQQVGCTYYNGQG-UHFFFAOYSA-L
MW1278.96 g/mol
LogP-9.59
Rot. Bonds14

About bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate

bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate (PubChem CID 139045171) has the molecular formula C49H52Cl2MnN24O11 and a molecular weight of 1278.96 g/mol. Its IUPAC name is bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate.

Molecular Properties

Compound Namebis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate
PubChem CID139045171
Molecular FormulaC49H52Cl2MnN24O11
Molecular Weight1278.96 g/mol
Exact Mass1277.30
IUPAC Namebis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate
SMILESCO.N/C(=N\N=C(/N)c1cccc(-c2cccc(/C(N)=N/N=C(\N)c3ccccn3)n2)n1)c1ccccn1.N/C(=N\N=C(/N)c1cccc(-c2cccc(/C(N)=N/N=C(\N)c3ccccn3)n2)n1)c1ccccn1.O.O.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C24H22N12.CH4O.2ClHO4.Mn.2H2O/c2*25-21(17-7-1-3-13-29-17)33-35-23(27)19-11-5-9-15(31-19)16-10-6-12-20(32-16)24(28)36-34-22(26)18-8-2-4-14-30-18;1-2;2*2-1(3,4)5;;;/h2*1-14H,(H2,25,33)(H2,26,34)(H2,27,35)(H2,28,36);2H,1H3;2*(H,2,3,4,5);;2*1H2/q;;;;;+2;;/p-2
InChIKeyLCQQVGCTYYNGQG-UHFFFAOYSA-L
XLogP-9.59
TPSA677.87 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.96
LogP ≤ 5-9.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
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
ron(2+), tris(4,4a(2)-dimethyl-2,2a(2)-bipyridine-I masculineN1,I masculineN1a(2))-, (OC-6-11)-, perchlorate (1:2)
CID 165360862
Bis(2,2a(2)-bipyridine)dichlororuthenium monohydrate
CID 165360208
Tris(bipyridine)iron(II) chloride
CID 168447302
Dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate
CID 139041411
dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate
CID 139045230

Frequently Asked Questions

What is the IUPAC name of bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate?
The IUPAC name of bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate (CID 139045171) is bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate.
What is the SMILES notation for bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate?
The canonical SMILES for bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate is CO.N/C(=N\N=C(/N)c1cccc(-c2cccc(/C(N)=N/N=C(\N)c3ccccn3)n2)n1)c1ccccn1.N/C(=N\N=C(/N)c1cccc(-c2cccc(/C(N)=N/N=C(\N)c3ccccn3)n2)n1)c1ccccn1.O.O.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate?
The InChIKey is LCQQVGCTYYNGQG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H22N12.CH4O.2ClHO4.Mn.2H2O/c2*25-21(17-7-1-3-13-29-17)33-35-23(27)19-11-5-9-15(31-19)16-10-6-12-20(32-16)24(28)36-34-22(26)18-8-2-4-14-30-18;1-2;2*2-1(3,4)5;;;/h2*1-14H,(H2,25,33)(H2,26,34)(H2,27,35)(H2,28,36);2H,1H3;2*(H,2,3,4,5);;2*1H2/q;;;;;+2;;/p-2.
What are the key properties of bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate?
bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate has a molecular weight of 1278.96 g/mol, XLogP of -9.59, 14 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate is sourced from PubChem (CID 139045171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).