hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol)

C73H92Cl12N6O7Zr6 — CID 157220433

IUPAChexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol)
SMILESCCC1CC1/N=C/c1cccc(C)c1O.COC1CC1/N=C/c1cccc(C)c1O.Cc1cccc(/C=N/C2CC2C)c1O.Cc1cccc(/C=N/C2CC2C)c1O.Cc1cccc(/C=N/C2CC2C)c1O.Cc1cccc(/C=N/C2CC2C)c1O.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl
InChIInChI=1S/C13H17NO.C12H15NO2.4C12H15NO.12ClH.6Zr/c1-3-10-7-12(10)14-8-11-6-4-5-9(2)13(11)15;1-8-4-3-5-9(12(8)14)7-13-10-6-11(10)15-2;4*1-8-4-3-5-10(12(8)14)7-13-11-6-9(11)2;;;;;;;;;;;;;;;;;;/h4-6,8,10,12,15H,3,7H2,1-2H3;3-5,7,10-11,14H,6H2,1-2H3;4*3-5,7,9,11,14H,6H2,1-2H3;12*1H;;;;;;/q;;;;;;;;;;;;;;;;;;6*+2/p-12/b14-8+;5*13-7+;;;;;;;;;;;;;;;;;;
InChIKeyNVAPPQZLRYGYSU-QHVGDEJDSA-B
MW2138.35 g/mol
LogP23.20
Rot. Bonds14

About hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol)

hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol) (PubChem CID 157220433) has the molecular formula C73H92Cl12N6O7Zr6 and a molecular weight of 2138.35 g/mol. Its IUPAC name is hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol).

Molecular Properties

Compound Namehexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol)
PubChem CID157220433
Molecular FormulaC73H92Cl12N6O7Zr6
Molecular Weight2138.35 g/mol
Exact Mass2123.76
IUPAC Namehexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol)
SMILESCCC1CC1/N=C/c1cccc(C)c1O.COC1CC1/N=C/c1cccc(C)c1O.Cc1cccc(/C=N/C2CC2C)c1O.Cc1cccc(/C=N/C2CC2C)c1O.Cc1cccc(/C=N/C2CC2C)c1O.Cc1cccc(/C=N/C2CC2C)c1O.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl
InChIInChI=1S/C13H17NO.C12H15NO2.4C12H15NO.12ClH.6Zr/c1-3-10-7-12(10)14-8-11-6-4-5-9(2)13(11)15;1-8-4-3-5-9(12(8)14)7-13-10-6-11(10)15-2;4*1-8-4-3-5-10(12(8)14)7-13-11-6-9(11)2;;;;;;;;;;;;;;;;;;/h4-6,8,10,12,15H,3,7H2,1-2H3;3-5,7,10-11,14H,6H2,1-2H3;4*3-5,7,9,11,14H,6H2,1-2H3;12*1H;;;;;;/q;;;;;;;;;;;;;;;;;;6*+2/p-12/b14-8+;5*13-7+;;;;;;;;;;;;;;;;;;
InChIKeyNVAPPQZLRYGYSU-QHVGDEJDSA-B
XLogP23.20
TPSA204.77 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002138.35
LogP ≤ 523.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol) with MolForge

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Related Compounds

dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
CID 135997406
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
cis-(3R,4S)-3,4-bis[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclopentane-1-carboxylic acid
CID 136862306
2-(cyclohexylmethyliminomethyl)-4-methoxy-6-methylphenol;2-(cyclohexylmethyliminomethyl)-6-methylphenol;decakis(dichlorozirconium);2,4-dimethyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2,4-dimethyl-6-(methyliminomethyl)phenol;4-methoxy-2-[(2-methylcyclohexyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol;4-methoxy-2-methyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2-methyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2-methyl-6-[(2-methylcyclohexyl)iminomethyl]-4-phenylphenol;4-methyl-2-[(2-methylcyclohexyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol;2-methyl-6-(methyliminomethyl)-4-phenylphenol
CID 159022611
bis(2-tert-butyl-6-(cyclohexyliminomethyl)phenol);dichlorozirconium
CID 139252629
bis(2-tert-butyl-6-(cyclopropyliminomethyl)phenol);dichlorozirconium
CID 139252627
methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate
CID 135578391
2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 139203860
2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
CID 112554340
cobalt(2+);3-[[2-[(2,3-dihydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,2-diol;methanone
CID 155649862
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol
CID 1224312
2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol
CID 136745314

Frequently Asked Questions

What is the IUPAC name of hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol)?
The IUPAC name of hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol) (CID 157220433) is hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol).
What is the SMILES notation for hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol)?
The canonical SMILES for hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol) is CCC1CC1/N=C/c1cccc(C)c1O.COC1CC1/N=C/c1cccc(C)c1O.Cc1cccc(/C=N/C2CC2C)c1O.Cc1cccc(/C=N/C2CC2C)c1O.Cc1cccc(/C=N/C2CC2C)c1O.Cc1cccc(/C=N/C2CC2C)c1O.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.
What is the InChIKey of hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol)?
The InChIKey is NVAPPQZLRYGYSU-QHVGDEJDSA-B. The full InChI is InChI=1S/C13H17NO.C12H15NO2.4C12H15NO.12ClH.6Zr/c1-3-10-7-12(10)14-8-11-6-4-5-9(2)13(11)15;1-8-4-3-5-9(12(8)14)7-13-10-6-11(10)15-2;4*1-8-4-3-5-10(12(8)14)7-13-11-6-9(11)2;;;;;;;;;;;;;;;;;;/h4-6,8,10,12,15H,3,7H2,1-2H3;3-5,7,10-11,14H,6H2,1-2H3;4*3-5,7,9,11,14H,6H2,1-2H3;12*1H;;;;;;/q;;;;;;;;;;;;;;;;;;6*+2/p-12/b14-8+;5*13-7+;;;;;;;;;;;;;;;;;;.
What are the key properties of hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol)?
hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol) has a molecular weight of 2138.35 g/mol, XLogP of 23.20, 14 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(dichlorozirconium);2-[(2-ethylcyclopropyl)iminomethyl]-6-methylphenol;2-[(2-methoxycyclopropyl)iminomethyl]-6-methylphenol;tetrakis(2-methyl-6-[(2-methylcyclopropyl)iminomethyl]phenol) is sourced from PubChem (CID 157220433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).