dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate)

C70H80Cl4N4O4Zn2 — CID 139107143

IUPACdizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate)
SMILESC/C([O-])=C/C(C)=N/c1cccc2ccc(-c3ccccc3)nc12.C/C([O-])=C/C(C)=N/c1cccc2ccc(-c3ccccc3)nc12.CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].ClCCl.ClCCl.[Zn+2].[Zn+2]
InChIInChI=1S/2C20H18N2O.2C14H22O.2CH2Cl2.2Zn/c2*1-14(13-15(2)23)21-19-10-6-9-17-11-12-18(22-20(17)19)16-7-4-3-5-8-16;2*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;2*2-1-3;;/h2*3-13,23H,1-2H3;2*7-9,15H,1-6H3;2*1H2;;/q;;;;;;2*+2/p-4/b2*15-13-,21-14+;;;;;;
InChIKeyMBRYNCLYFXYPQO-WIXLEZQGSA-J
MW1314.03 g/mol
LogP18.07
Rot. Bonds6

About dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate)

dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate) (PubChem CID 139107143) has the molecular formula C70H80Cl4N4O4Zn2 and a molecular weight of 1314.03 g/mol. Its IUPAC name is dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate).

Molecular Properties

Compound Namedizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate)
PubChem CID139107143
Molecular FormulaC70H80Cl4N4O4Zn2
Molecular Weight1314.03 g/mol
Exact Mass1308.35
IUPAC Namedizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate)
SMILESC/C([O-])=C/C(C)=N/c1cccc2ccc(-c3ccccc3)nc12.C/C([O-])=C/C(C)=N/c1cccc2ccc(-c3ccccc3)nc12.CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].ClCCl.ClCCl.[Zn+2].[Zn+2]
InChIInChI=1S/2C20H18N2O.2C14H22O.2CH2Cl2.2Zn/c2*1-14(13-15(2)23)21-19-10-6-9-17-11-12-18(22-20(17)19)16-7-4-3-5-8-16;2*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;2*2-1-3;;/h2*3-13,23H,1-2H3;2*7-9,15H,1-6H3;2*1H2;;/q;;;;;;2*+2/p-4/b2*15-13-,21-14+;;;;;;
InChIKeyMBRYNCLYFXYPQO-WIXLEZQGSA-J
XLogP18.07
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001314.03
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate) 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

zinc;2,6-ditert-butylphenolate;dichloromethane;(Z)-6,6,6-trifluoro-2,2-dimethyl-5-quinolin-8-yliminohex-3-en-3-olate
CID 139160116
zinc;2,6-ditert-butylphenolate;(Z)-6,6,6-trifluoro-2,2-dimethyl-5-(2-methylquinolin-8-yl)iminohex-3-en-3-olate
CID 139160118
zinc;2,6-ditert-butylphenolate;(Z)-1,1,1-trifluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate
CID 139160121
Dichloromethane;iron(3+);bis(2-(quinolin-8-yliminomethyl)phenolate);isoselenocyanate
CID 139120327
zinc;[(Z)-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-quinolin-8-ylazanide;2,4-ditert-butyl-6-(quinolin-8-yliminomethyl)phenolate
CID 139131610
Cu(dmp)2-THPE
CID 139138682
Cu(dmp)2-THIB
CID 139138683
Cu(dmp)2-2THPE-H2O
CID 139138684
Cu(dmp)2-THBE
CID 139138685
Bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium
CID 139139744
Chloroform;1-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene
CID 139161524
Cobalt(2+);bis(2,4-ditert-butyl-6-(quinolin-8-yliminomethyl)phenolate)
CID 139163130

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate)?
The IUPAC name of dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate) (CID 139107143) is dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate).
What is the SMILES notation for dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate)?
The canonical SMILES for dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate) is C/C([O-])=C/C(C)=N/c1cccc2ccc(-c3ccccc3)nc12.C/C([O-])=C/C(C)=N/c1cccc2ccc(-c3ccccc3)nc12.CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].ClCCl.ClCCl.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate)?
The InChIKey is MBRYNCLYFXYPQO-WIXLEZQGSA-J. The full InChI is InChI=1S/2C20H18N2O.2C14H22O.2CH2Cl2.2Zn/c2*1-14(13-15(2)23)21-19-10-6-9-17-11-12-18(22-20(17)19)16-7-4-3-5-8-16;2*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;2*2-1-3;;/h2*3-13,23H,1-2H3;2*7-9,15H,1-6H3;2*1H2;;/q;;;;;;2*+2/p-4/b2*15-13-,21-14+;;;;;;.
What are the key properties of dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate)?
dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate) has a molecular weight of 1314.03 g/mol, XLogP of 18.07, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(2,6-ditert-butylphenolate);bis(dichloromethane);bis((Z)-4-(2-phenylquinolin-8-yl)iminopent-2-en-2-olate) is sourced from PubChem (CID 139107143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).