hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate

C174H156Cl12N24O54Zn6 — CID 139127858

IUPAChexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[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].[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1
InChIInChI=1S/6C29H26N4O.12ClHO4.6Zn/c6*1-2-9-23(10-3-1)22-34-28-14-8-11-24-15-16-27(32-29(24)28)21-33(19-25-12-4-6-17-30-25)20-26-13-5-7-18-31-26;12*2-1(3,4)5;;;;;;/h6*1-18H,19-22H2;12*(H,2,3,4,5);;;;;;/q;;;;;;;;;;;;;;;;;;6*+2/p-12
InChIKeyCEIRDHJWLVEFRH-UHFFFAOYSA-B
MW4265.05 g/mol
LogP-22.25
Rot. Bonds54

About hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate

hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate (PubChem CID 139127858) has the molecular formula C174H156Cl12N24O54Zn6 and a molecular weight of 4265.05 g/mol. Its IUPAC name is hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate.

Molecular Properties

Compound Namehexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate
PubChem CID139127858
Molecular FormulaC174H156Cl12N24O54Zn6
Molecular Weight4265.05 g/mol
Exact Mass4248.22
IUPAC Namehexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[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].[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1
InChIInChI=1S/6C29H26N4O.12ClHO4.6Zn/c6*1-2-9-23(10-3-1)22-34-28-14-8-11-24-15-16-27(32-29(24)28)21-33(19-25-12-4-6-17-30-25)20-26-13-5-7-18-31-26;12*2-1(3,4)5;;;;;;/h6*1-18H,19-22H2;12*(H,2,3,4,5);;;;;;/q;;;;;;;;;;;;;;;;;;6*+2/p-12
InChIKeyCEIRDHJWLVEFRH-UHFFFAOYSA-B
XLogP-22.25
TPSA1413.72 Ų
H-Bond Donors
H-Bond Acceptors78
Rotatable Bonds54
Heavy Atoms270
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004265.05
LogP ≤ 5-22.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1078

Analyze hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate with MolForge

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Related Compounds

LZn,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-phenylethyl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731915
DZn,HHT-tris{(R)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(3-benzyloxypyridin-6-yl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731944
Dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate
CID 139039198
copper;N-(pyridin-2-ylmethyl)-2-quinolin-8-yloxy-N-(2-quinolin-8-yloxyethyl)ethanamine;diperchlorate
CID 139044985
octakis(dimethylazanide);hexane;methanolate;hexadecakis(2-methoxy-N,N-dimethyl-6-(pyrrol-1-id-2-ylmethyliminomethyl)aniline);octakis(titanium(4+));toluene;dihydrate
CID 139045712
Tetrakis[mu-2-(quinolin-8-yloxy)acetato]tetrakis[mu-2-(quinolin-8-yloxy)acetonitrile]tetracadmium tetrakis(perchlorate) dihydrate
CID 139061454
[2,6-Bis(8-quinolyloxymethyl)pyridine]dinitratocadmium(II)
CID 139069176
Bis{mu-4'-[4-(quinolin-8-yloxymethyl)phenyl]-2,2':6',2''-terpyridine}disilver(I) bis(perchlorate) dimethylformamide disolvate
CID 139077919
Dizinc;bis(4-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxybutanoate);diperchlorate;dihydrate
CID 139127860
dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-8-methoxy-N,N-dimethyl-4-(2-methylpropoxy)quinolin-6-amine);tetranitrate;tetrahydrate
CID 139135630
zinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
CID 139166072
cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
CID 139166073

Frequently Asked Questions

What is the IUPAC name of hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate?
The IUPAC name of hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate (CID 139127858) is hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate.
What is the SMILES notation for hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate?
The canonical SMILES for hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[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].[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.c1ccc(COc2cccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc23)cc1.
What is the InChIKey of hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate?
The InChIKey is CEIRDHJWLVEFRH-UHFFFAOYSA-B. The full InChI is InChI=1S/6C29H26N4O.12ClHO4.6Zn/c6*1-2-9-23(10-3-1)22-34-28-14-8-11-24-15-16-27(32-29(24)28)21-33(19-25-12-4-6-17-30-25)20-26-13-5-7-18-31-26;12*2-1(3,4)5;;;;;;/h6*1-18H,19-22H2;12*(H,2,3,4,5);;;;;;/q;;;;;;;;;;;;;;;;;;6*+2/p-12.
What are the key properties of hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate?
hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate has a molecular weight of 4265.05 g/mol, XLogP of -22.25, 54 rotatable bonds, 0 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate is sourced from PubChem (CID 139127858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).