tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate

C72H54Cl2Mn4N12O14 — CID 139129268

IUPACtetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate
SMILES[Mn+2].[Mn+2].[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/N=C/c1ccccn1.[O-]c1ccccc1/N=C/c1ccccn1.[O-]c1ccccc1/N=C\c1ccccn1.[O-]c1ccccc1/N=C\c1ccccn1.[O-]c1ccccc1/N=C\c1ccccn1.[O-]c1ccccc1/N=C\c1ccccn1
InChIInChI=1S/6C12H10N2O.2ClHO4.4Mn/c6*15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10;2*2-1(3,4)5;;;;/h6*1-9,15H;2*(H,2,3,4,5);;;;/q;;;;;;;;4*+2/p-8/b2*14-9+;4*14-9-;;;;;;
InChIKeyCVJQPHPHMSLCPX-ZZYBCOBESA-F
MW1601.95 g/mol
LogP1.91
Rot. Bonds12

About tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate

tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate (PubChem CID 139129268) has the molecular formula C72H54Cl2Mn4N12O14 and a molecular weight of 1601.95 g/mol. Its IUPAC name is tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate.

Molecular Properties

Compound Nametetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate
PubChem CID139129268
Molecular FormulaC72H54Cl2Mn4N12O14
Molecular Weight1601.95 g/mol
Exact Mass1600.08
IUPAC Nametetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate
SMILES[Mn+2].[Mn+2].[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/N=C/c1ccccn1.[O-]c1ccccc1/N=C/c1ccccn1.[O-]c1ccccc1/N=C\c1ccccn1.[O-]c1ccccc1/N=C\c1ccccn1.[O-]c1ccccc1/N=C\c1ccccn1.[O-]c1ccccc1/N=C\c1ccccn1
InChIInChI=1S/6C12H10N2O.2ClHO4.4Mn/c6*15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10;2*2-1(3,4)5;;;;/h6*1-9,15H;2*(H,2,3,4,5);;;;/q;;;;;;;;4*+2/p-8/b2*14-9+;4*14-9-;;;;;;
InChIKeyCVJQPHPHMSLCPX-ZZYBCOBESA-F
XLogP1.91
TPSA474.34 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001601.95
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Bis(acetato-kappaO)bis(mu~3~-quinolin-8-olato-kappa^4^N,O:O:O)tetrakis(mu~2~-quinolin-8-olato-kappa^3^N,O:O)tetrazinc(II) dihydrate
CID 139076884
1,2-Dimethoxyethane;hexakis(quinolin-8-olate);bis(scandium(3+))
CID 139156738
Heptakis(cobalt(2+));tetrakis(dichloromethane);dodecakis(pyridin-2-ylmethanolate);dichloride
CID 139157089
Magnesium;chloroform;bis(dysprosium(3+));octakis(quinolin-8-olate)
CID 139170863
Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)
CID 139170864
Dicalcium;chloroform;tetrakis(erbium(3+));hexadecakis(quinolin-8-olate)
CID 139170865
Magnesium;chloroform;bis(erbium(3+));octakis(quinolin-8-olate)
CID 139170866
Tetrakis(cobalt(2+));octakis(quinolin-8-olate)
CID 139198080
Dioxidanium;bis(2-[bis(2-pyridin-2-ylethyl)amino]phenolate);bis(nickel(3+));dinitrate;tetrahydrate
CID 168308695
Octakis(quinolin-8-ol);ZINC
CID 59722249
Hexakis(dipyridin-2-ylmethanolate);gadolinium(3+);bis(nickel(2+));nickel(3+);tetraperchlorate
CID 139132639
Hexakis(dipyridin-2-ylmethanolate);dysprosium(3+);bis(nickel(2+));nickel(3+);tetraperchlorate
CID 139132640

Frequently Asked Questions

What is the IUPAC name of tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate?
The IUPAC name of tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate (CID 139129268) is tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate.
What is the SMILES notation for tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate?
The canonical SMILES for tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate is [Mn+2].[Mn+2].[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/N=C/c1ccccn1.[O-]c1ccccc1/N=C/c1ccccn1.[O-]c1ccccc1/N=C\c1ccccn1.[O-]c1ccccc1/N=C\c1ccccn1.[O-]c1ccccc1/N=C\c1ccccn1.[O-]c1ccccc1/N=C\c1ccccn1.
What is the InChIKey of tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate?
The InChIKey is CVJQPHPHMSLCPX-ZZYBCOBESA-F. The full InChI is InChI=1S/6C12H10N2O.2ClHO4.4Mn/c6*15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10;2*2-1(3,4)5;;;;/h6*1-9,15H;2*(H,2,3,4,5);;;;/q;;;;;;;;4*+2/p-8/b2*14-9+;4*14-9-;;;;;;.
What are the key properties of tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate?
tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate has a molecular weight of 1601.95 g/mol, XLogP of 1.91, 12 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate is sourced from PubChem (CID 139129268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).