dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate

C108H102Cl4N12O22Zn2 — CID 53481974

IUPACdizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate
SMILESC(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/3C36H34N4O2.4ClHO4.2Zn/c3*1-3-11-31(12-4-1)35(39-23-33-15-7-9-21-37-33)27-41-25-29-17-19-30(20-18-29)26-42-28-36(32-13-5-2-6-14-32)40-24-34-16-8-10-22-38-34;4*2-1(3,4)5;;/h3*1-24,35-36H,25-28H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*39-23+,40-24+;;;;;;/t3*35-,36-;;;;;;/m000....../s1
InChIKeyCPEOHPYKXHSACX-QELPATEBSA-J
MW2192.66 g/mol
LogP2.66
Rot. Bonds42

About dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate

dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate (PubChem CID 53481974) has the molecular formula C108H102Cl4N12O22Zn2 and a molecular weight of 2192.66 g/mol. Its IUPAC name is dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate.

Molecular Properties

Compound Namedizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate
PubChem CID53481974
Molecular FormulaC108H102Cl4N12O22Zn2
Molecular Weight2192.66 g/mol
Exact Mass2186.46
IUPAC Namedizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate
SMILESC(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/3C36H34N4O2.4ClHO4.2Zn/c3*1-3-11-31(12-4-1)35(39-23-33-15-7-9-21-37-33)27-41-25-29-17-19-30(20-18-29)26-42-28-36(32-13-5-2-6-14-32)40-24-34-16-8-10-22-38-34;4*2-1(3,4)5;;/h3*1-24,35-36H,25-28H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*39-23+,40-24+;;;;;;/t3*35-,36-;;;;;;/m000....../s1
InChIKeyCPEOHPYKXHSACX-QELPATEBSA-J
XLogP2.66
TPSA575.84 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002192.66
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate 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

deltaFe-Tris((1R,1'R)-2,2'-(1,4-phenylenebis(methylene))bis(oxy)bis(1-phenyl-N-((5-(prop-2-ynyloxy)pyridin-2-yl)methylene)ethanamine))diiron(II) perchlorate
CID 53481956
deltaFe-Tris(6-((2-(4-(((R)-2-((pyridin-2-yl)methyleneamino)-2-phenylethoxy)methyl)benzyloxy)ethylimino)methyl)pyridine)diiron(II) perchlorate
CID 53481961
lambdaFe-Tris(6-((2-(4-(((S)-2-((pyridin-2-yl)methyleneamino)-2-phenylethoxy)methyl)benzyloxy)ethylimino)methyl)pyridine)diiron(II) chloride
CID 53481968
deltaFe-Tris(6-((2-(4-(((R)-2-((pyridin-2-yl)methyleneamino)-2-phenylethoxy)methyl)benzyloxy)ethylimino)methyl)pyridine)diiron(II) chloride
CID 53481972
bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-[(5-prop-2-ynoxy-2-pyridinyl)methylideneamino]ethoxy]methyl]phenyl]methoxy]ethyl]-1-(5-prop-2-ynoxy-2-pyridinyl)methanimine);tetraperchlorate
CID 53491354
bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate
CID 53491358
bis(iron(2+));tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetrachloride
CID 53491360
dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate
CID 53491368
bis(iron(2+));tris(N-[(1S)-1-phenyl-2-[[4-[[(2S)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetrachloride
CID 53491369
DZn,HHT-tris{(R)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(pyridin-2-yl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731935
4-(5'-(4-(3,7,11,14,17-Pentaoxa-5(2,6)-pyridina-1,9(1,4)-dibenzenacyclooctadecaphane-54-yl)phenyl)-[2,2'-bipyridin]-5-yl)aniline
CID 121494220
bis(iron(2+));N-[(1S)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride
CID 129892882

Frequently Asked Questions

What is the IUPAC name of dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate?
The IUPAC name of dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate (CID 53481974) is dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate.
What is the SMILES notation for dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate?
The canonical SMILES for dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate is C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.C(=N/[C@@H](COCc1ccc(COC[C@H](/N=C/c2ccccn2)c2ccccc2)cc1)c1ccccc1)\c1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate?
The InChIKey is CPEOHPYKXHSACX-QELPATEBSA-J. The full InChI is InChI=1S/3C36H34N4O2.4ClHO4.2Zn/c3*1-3-11-31(12-4-1)35(39-23-33-15-7-9-21-37-33)27-41-25-29-17-19-30(20-18-29)26-42-28-36(32-13-5-2-6-14-32)40-24-34-16-8-10-22-38-34;4*2-1(3,4)5;;/h3*1-24,35-36H,25-28H2;4*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/b3*39-23+,40-24+;;;;;;/t3*35-,36-;;;;;;/m000....../s1.
What are the key properties of dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate?
dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate has a molecular weight of 2192.66 g/mol, XLogP of 2.66, 42 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;tris(N-[(1R)-1-phenyl-2-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine);tetraperchlorate is sourced from PubChem (CID 53481974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).