bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate

C56H48Cl2Co2N8O12 — CID 139158831

IUPACbis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate
SMILES[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1cc2ccccc2cc1[O-].[O-]c1cc2ccccc2cc1[O-].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/2C18H18N4.2C10H8O2.2ClHO4.2Co/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2*11-9-5-7-3-1-2-4-8(7)6-10(9)12;2*2-1(3,4)5;;/h2*1-12H,13-15H2;2*1-6,11-12H;2*(H,2,3,4,5);;/q;;;;;;2*+3/p-6
InChIKeyJDHIYLAEZYNZKQ-UHFFFAOYSA-H
MW1213.82 g/mol
LogP-1.39
Rot. Bonds12

About bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate

bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate (PubChem CID 139158831) has the molecular formula C56H48Cl2Co2N8O12 and a molecular weight of 1213.82 g/mol. Its IUPAC name is bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate.

Molecular Properties

Compound Namebis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate
PubChem CID139158831
Molecular FormulaC56H48Cl2Co2N8O12
Molecular Weight1213.82 g/mol
Exact Mass1212.14
IUPAC Namebis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate
SMILES[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1cc2ccccc2cc1[O-].[O-]c1cc2ccccc2cc1[O-].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/2C18H18N4.2C10H8O2.2ClHO4.2Co/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2*11-9-5-7-3-1-2-4-8(7)6-10(9)12;2*2-1(3,4)5;;/h2*1-12H,13-15H2;2*1-6,11-12H;2*(H,2,3,4,5);;/q;;;;;;2*+3/p-6
InChIKeyJDHIYLAEZYNZKQ-UHFFFAOYSA-H
XLogP-1.39
TPSA360.54 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.82
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Related Compounds

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
Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
(Naphthalene-2,3-diolato-kappa^2^O,O')[tris(2-pyridylmethyl)amine-kappa^4^N]cobalt(III) hexafluoridophosphate hemihydrate
CID 139081429
Bis(2-[[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate);bis(manganese(2+));diperchlorate;trihydrate
CID 139125139
[Fe(L2)2](PF6)2
CID 139137586
1,4-Diiminoanthracene-9,10-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate
CID 139141268
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
Cobalt(2+);bis(4-(2-naphthalen-2-yloxyethoxy)-2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
CID 139173283
Tetrakis(2-[2-[methyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);pentakis(oxygen(2-));tetrakis(pyridine);uranium;bis(uranium(4+))
CID 139184510
Dicopper;tris(acetonitrile);2-[2-[bis[2-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-methyl-2-oxidophenyl]methylideneamino]ethyl]amino]ethyliminomethyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;copper(1+);yttrium
CID 168302378
Bis(2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]phenolate);bis(iron(4+));oxygen(2-);bis(tetraphenylboranuide)
CID 168333182
bis(iron(4+));methanolate;bis(naphthalen-2-olate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate
CID 168338219

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate?
The IUPAC name of bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate (CID 139158831) is bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate.
What is the SMILES notation for bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate?
The canonical SMILES for bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate is [Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1cc2ccccc2cc1[O-].[O-]c1cc2ccccc2cc1[O-].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate?
The InChIKey is JDHIYLAEZYNZKQ-UHFFFAOYSA-H. The full InChI is InChI=1S/2C18H18N4.2C10H8O2.2ClHO4.2Co/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2*11-9-5-7-3-1-2-4-8(7)6-10(9)12;2*2-1(3,4)5;;/h2*1-12H,13-15H2;2*1-6,11-12H;2*(H,2,3,4,5);;/q;;;;;;2*+3/p-6.
What are the key properties of bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate?
bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate has a molecular weight of 1213.82 g/mol, XLogP of -1.39, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(3+));bis(naphthalene-2,3-diolate);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate is sourced from PubChem (CID 139158831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).