trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)

C86H64Dy2N12O24Zn3 — CID 139189277

IUPACtrizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)
SMILESCOc1cccc(/C=N/CCC/N=C/c2cccc(OC)c2[O-])c1[O-].COc1cccc(/C=N/CCC/N=C/c2cccc(OC)c2[O-])c1[O-].O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[Dy+3].[Dy+3].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/2C19H22N2O4.4C12H8N2O4.2Dy.3Zn/c2*1-24-16-8-3-6-14(18(16)22)12-20-10-5-11-21-13-15-7-4-9-17(25-2)19(15)23;4*15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;;;;;/h2*3-4,6-9,12-13,22-23H,5,10-11H2,1-2H3;4*1-6H,(H,15,16)(H,17,18);;;;;/q;;;;;;2*+3;3*+2/p-12/b2*20-12+,21-13+;;;;;;;;;
InChIKeyCHVMZQQZSRFDCW-IONMLPISSA-B
MW2170.69 g/mol
LogP-0.97
Rot. Bonds28

About trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)

trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate) (PubChem CID 139189277) has the molecular formula C86H64Dy2N12O24Zn3 and a molecular weight of 2170.69 g/mol. Its IUPAC name is trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate).

Molecular Properties

Compound Nametrizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)
PubChem CID139189277
Molecular FormulaC86H64Dy2N12O24Zn3
Molecular Weight2170.69 g/mol
Exact Mass2168.06
IUPAC Nametrizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)
SMILESCOc1cccc(/C=N/CCC/N=C/c2cccc(OC)c2[O-])c1[O-].COc1cccc(/C=N/CCC/N=C/c2cccc(OC)c2[O-])c1[O-].O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[Dy+3].[Dy+3].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/2C19H22N2O4.4C12H8N2O4.2Dy.3Zn/c2*1-24-16-8-3-6-14(18(16)22)12-20-10-5-11-21-13-15-7-4-9-17(25-2)19(15)23;4*15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;;;;;/h2*3-4,6-9,12-13,22-23H,5,10-11H2,1-2H3;4*1-6H,(H,15,16)(H,17,18);;;;;/q;;;;;;2*+3;3*+2/p-12/b2*20-12+,21-13+;;;;;;;;;
InChIKeyCHVMZQQZSRFDCW-IONMLPISSA-B
XLogP-0.97
TPSA602.76 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002170.69
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(dysprosium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate)
CID 139140293
chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate)
CID 139140295
tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)
CID 139174836
6-[[4,7-Bis[[6-carboxy-4-(2,4-dimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(4-methoxy-2-methylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid;6-[[4,7-bis[[6-carboxy-4-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(2,4,6-trimethylphenyl)pyridine-2-carboxylic acid;dysprosium;terbium
CID 160582467

Frequently Asked Questions

What is the IUPAC name of trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)?
The IUPAC name of trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate) (CID 139189277) is trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate).
What is the SMILES notation for trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)?
The canonical SMILES for trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate) is COc1cccc(/C=N/CCC/N=C/c2cccc(OC)c2[O-])c1[O-].COc1cccc(/C=N/CCC/N=C/c2cccc(OC)c2[O-])c1[O-].O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[Dy+3].[Dy+3].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)?
The InChIKey is CHVMZQQZSRFDCW-IONMLPISSA-B. The full InChI is InChI=1S/2C19H22N2O4.4C12H8N2O4.2Dy.3Zn/c2*1-24-16-8-3-6-14(18(16)22)12-20-10-5-11-21-13-15-7-4-9-17(25-2)19(15)23;4*15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;;;;;/h2*3-4,6-9,12-13,22-23H,5,10-11H2,1-2H3;4*1-6H,(H,15,16)(H,17,18);;;;;/q;;;;;;2*+3;3*+2/p-12/b2*20-12+,21-13+;;;;;;;;;.
What are the key properties of trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)?
trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate) has a molecular weight of 2170.69 g/mol, XLogP of -0.97, 28 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate) is sourced from PubChem (CID 139189277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).