bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate

C77H58Cl2Mn4N18O17 — CID 139045140

IUPACbis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate
SMILESCC#N.CC#N.CO.[Mn+2].[Mn+2].[Mn+3].[Mn+3].[O-]/C(=N\N=C/c1ccccc1[O-])c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C/c1ccccc1[O-])c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(-c2ccccn2)n1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C18H14N4O2.2C2H3N.CH4O.2ClHO4.4Mn/c4*23-17-10-2-1-6-13(17)12-20-22-18(24)16-9-5-8-15(21-16)14-7-3-4-11-19-14;2*1-2-3;1-2;2*2-1(3,4)5;;;;/h4*1-12,23H,(H,22,24);2*1H3;2H,1H3;2*(H,2,3,4,5);;;;/q;;;;;;;;;2*+2;2*+3/p-10/b2*20-12+;2*20-12-;;;;;;;;;
InChIKeyUKBFABGXQAXIGS-BFHSTJHGSA-D
MW1798.08 g/mol
LogP-3.42
Rot. Bonds16

About bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate

bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate (PubChem CID 139045140) has the molecular formula C77H58Cl2Mn4N18O17 and a molecular weight of 1798.08 g/mol. Its IUPAC name is bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate.

Molecular Properties

Compound Namebis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate
PubChem CID139045140
Molecular FormulaC77H58Cl2Mn4N18O17
Molecular Weight1798.08 g/mol
Exact Mass1796.11
IUPAC Namebis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate
SMILESCC#N.CC#N.CO.[Mn+2].[Mn+2].[Mn+3].[Mn+3].[O-]/C(=N\N=C/c1ccccc1[O-])c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C/c1ccccc1[O-])c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(-c2ccccn2)n1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C18H14N4O2.2C2H3N.CH4O.2ClHO4.4Mn/c4*23-17-10-2-1-6-13(17)12-20-22-18(24)16-9-5-8-15(21-16)14-7-3-4-11-19-14;2*1-2-3;1-2;2*2-1(3,4)5;;;;/h4*1-12,23H,(H,22,24);2*1H3;2H,1H3;2*(H,2,3,4,5);;;;/q;;;;;;;;;2*+2;2*+3/p-10/b2*20-12+;2*20-12-;;;;;;;;;
InChIKeyUKBFABGXQAXIGS-BFHSTJHGSA-D
XLogP-3.42
TPSA638.77 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds16
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001798.08
LogP ≤ 5-3.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

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'}

Analyze bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate with MolForge

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Related Compounds

tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate
CID 139045128
Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
(mu-Acetato-kappa^2^O:O')[mu-2,6-bis({bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}methyl)-4-methylphenolato-kappa^2^O:O](methanol-kappaO)dizinc bis(perchlorate)
CID 139086488
Dicopper;bis(2-[6-[[benzyl-[(6-phenyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]phenolate);diperchlorate
CID 139117844
Bis(2-[[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate);bis(manganese(2+));diperchlorate;trihydrate
CID 139125139
Hexasilver;hexakis(6-pyridin-2-ylpyridin-2-olate);octadecahydrate
CID 139129372
Bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)
CID 139148858
Dizinc;tris(acetonitrile);2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;hydroxide;diperchlorate
CID 139152305
tetracopper;2-[[(3S)-5-[benzyl-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]amino]-3-oxidopentyl]iminomethyl]phenolate;2-[[(3R)-5-[benzyl-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]amino]-3-oxidopentyl]iminomethyl]phenolate;ethanol;diacetate;dihexafluorophosphate
CID 139154313
bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate
CID 139158831
Methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate)
CID 139160384
Tricopper;2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-[2-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-methyl-2-oxidophenyl]methylideneamino]ethyliminomethyl]-4-methylphenolate;dinitrate;diperchlorate
CID 139166197

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate?
The IUPAC name of bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate (CID 139045140) is bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate.
What is the SMILES notation for bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate?
The canonical SMILES for bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate is CC#N.CC#N.CO.[Mn+2].[Mn+2].[Mn+3].[Mn+3].[O-]/C(=N\N=C/c1ccccc1[O-])c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C/c1ccccc1[O-])c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(-c2ccccn2)n1.[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(-c2ccccn2)n1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate?
The InChIKey is UKBFABGXQAXIGS-BFHSTJHGSA-D. The full InChI is InChI=1S/4C18H14N4O2.2C2H3N.CH4O.2ClHO4.4Mn/c4*23-17-10-2-1-6-13(17)12-20-22-18(24)16-9-5-8-15(21-16)14-7-3-4-11-19-14;2*1-2-3;1-2;2*2-1(3,4)5;;;;/h4*1-12,23H,(H,22,24);2*1H3;2H,1H3;2*(H,2,3,4,5);;;;/q;;;;;;;;;2*+2;2*+3/p-10/b2*20-12+;2*20-12-;;;;;;;;;.
What are the key properties of bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate?
bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate has a molecular weight of 1798.08 g/mol, XLogP of -3.42, 16 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate is sourced from PubChem (CID 139045140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).