bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate

C86H78Cl10Mn5N46O40 — CID 139045238

IUPACbis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate
SMILESN/C(=N\N=C(/N)c1cccc(/C(N)=N/N=C(\N)c2cccc(-c3ccccn3)n2)n1)c1cccc(/C(N)=N/N=C(\N)c2cccc(/C(N)=N/N=C(\N)c3cccc(-c4ccccn4)n3)n2)n1.NC(=N/N=C(\N)c1cccc(/C(N)=N/N=C(\N)c2cccc(/C(N)=N/N=C(\N)c3cccc(/C(N)=N/N=C(\N)c4cccc(-c5ccccn5)n4)n3)n2)n1)c1cccc(-c2ccccn2)n1.[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+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-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[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/2C43H39N23.10ClHO4.5Mn/c2*44-36(28-14-5-12-26(54-28)24-10-1-3-22-52-24)59-61-38(46)30-16-7-18-32(56-30)40(48)63-65-42(50)34-20-9-21-35(58-34)43(51)66-64-41(49)33-19-8-17-31(57-33)39(47)62-60-37(45)29-15-6-13-27(55-29)25-11-2-4-23-53-25;10*2-1(3,4)5;;;;;/h2*1-23H,(H2,44,59)(H2,45,60)(H2,46,61)(H2,47,62)(H2,48,63)(H2,49,64)(H2,50,65)(H2,51,66);10*(H,2,3,4,5);;;;;/q;;;;;;;;;;;;5*+2/p-10
InChIKeyBCKFBMGKTHKNLL-UHFFFAOYSA-D
MW3025.07 g/mol
LogP-45.79
Rot. Bonds28

About bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate

bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate (PubChem CID 139045238) has the molecular formula C86H78Cl10Mn5N46O40 and a molecular weight of 3025.07 g/mol. Its IUPAC name is bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate.

Molecular Properties

Compound Namebis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate
PubChem CID139045238
Molecular FormulaC86H78Cl10Mn5N46O40
Molecular Weight3025.07 g/mol
Exact Mass3018.93
IUPAC Namebis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate
SMILESN/C(=N\N=C(/N)c1cccc(/C(N)=N/N=C(\N)c2cccc(-c3ccccn3)n2)n1)c1cccc(/C(N)=N/N=C(\N)c2cccc(/C(N)=N/N=C(\N)c3cccc(-c4ccccn4)n3)n2)n1.NC(=N/N=C(\N)c1cccc(/C(N)=N/N=C(\N)c2cccc(/C(N)=N/N=C(\N)c3cccc(/C(N)=N/N=C(\N)c4cccc(-c5ccccn5)n4)n3)n2)n1)c1cccc(-c2ccccn2)n1.[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+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-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[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/2C43H39N23.10ClHO4.5Mn/c2*44-36(28-14-5-12-26(54-28)24-10-1-3-22-52-24)59-61-38(46)30-16-7-18-32(56-30)40(48)63-65-42(50)34-20-9-21-35(58-34)43(51)66-64-41(49)33-19-8-17-31(57-33)39(47)62-60-37(45)29-15-6-13-27(55-29)25-11-2-4-23-53-25;10*2-1(3,4)5;;;;;/h2*1-23H,(H2,44,59)(H2,45,60)(H2,46,61)(H2,47,62)(H2,48,63)(H2,49,64)(H2,50,65)(H2,51,66);10*(H,2,3,4,5);;;;;/q;;;;;;;;;;;;5*+2/p-10
InChIKeyBCKFBMGKTHKNLL-UHFFFAOYSA-D
XLogP-45.79
TPSA1716.94 Ų
H-Bond Donors16
H-Bond Acceptors70
Rotatable Bonds28
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003025.07
LogP ≤ 5-45.79
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1070

Analyze bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate with MolForge

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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)ruthenium(II) dichloride
CID 44140593
Ethanimidate;tetrakis(palladium(2+));tetrakis(2-pyridin-2-ylpyridine);tetrakis(trifluoromethanesulfonate)
CID 139151981
Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate
CID 139057872
Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232
Tris(2,2'-bipyridine)diperchloratoruthenium
CID 139144531
tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium);2-(5H-tetrazol-5-yl)pyridine;bis(2-[5-(trifluoromethyl)-3H-1,2,4-triazol-3-yl]pyridine)
CID 158853039
Tris(bipyridine)iron(II) chloride
CID 168447302
Bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate
CID 139038760
Dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate
CID 139041411
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

Frequently Asked Questions

What is the IUPAC name of bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate?
The IUPAC name of bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate (CID 139045238) is bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate.
What is the SMILES notation for bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate?
The canonical SMILES for bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate is N/C(=N\N=C(/N)c1cccc(/C(N)=N/N=C(\N)c2cccc(-c3ccccn3)n2)n1)c1cccc(/C(N)=N/N=C(\N)c2cccc(/C(N)=N/N=C(\N)c3cccc(-c4ccccn4)n3)n2)n1.NC(=N/N=C(\N)c1cccc(/C(N)=N/N=C(\N)c2cccc(/C(N)=N/N=C(\N)c3cccc(/C(N)=N/N=C(\N)c4cccc(-c5ccccn5)n4)n3)n2)n1)c1cccc(-c2ccccn2)n1.[Mn+2].[Mn+2].[Mn+2].[Mn+2].[Mn+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-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[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 bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate?
The InChIKey is BCKFBMGKTHKNLL-UHFFFAOYSA-D. The full InChI is InChI=1S/2C43H39N23.10ClHO4.5Mn/c2*44-36(28-14-5-12-26(54-28)24-10-1-3-22-52-24)59-61-38(46)30-16-7-18-32(56-30)40(48)63-65-42(50)34-20-9-21-35(58-34)43(51)66-64-41(49)33-19-8-17-31(57-33)39(47)62-60-37(45)29-15-6-13-27(55-29)25-11-2-4-23-53-25;10*2-1(3,4)5;;;;;/h2*1-23H,(H2,44,59)(H2,45,60)(H2,46,61)(H2,47,62)(H2,48,63)(H2,49,64)(H2,50,65)(H2,51,66);10*(H,2,3,4,5);;;;;/q;;;;;;;;;;;;5*+2/p-10.
What are the key properties of bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate?
bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate has a molecular weight of 3025.07 g/mol, XLogP of -45.79, 28 rotatable bonds, 16 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate is sourced from PubChem (CID 139045238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).