dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide)

C58H68N4Se2Zn2 — CID 139184213

IUPACdizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide)
SMILESC/C(=C/C(C)=N/c1c(C)cc(C)cc1C)[N-]c1c(C)cc(C)cc1C.C/C(=C/C(C)=N/c1c(C)cc(C)cc1C)[N-]c1c(C)cc(C)cc1C.[Se-]c1ccccc1.[Se-]c1ccccc1.[Zn+2].[Zn+2]
InChIInChI=1S/2C23H29N2.2C6H6Se.2Zn/c2*1-14-9-16(3)22(17(4)10-14)24-20(7)13-21(8)25-23-18(5)11-15(2)12-19(23)6;2*7-6-4-2-1-3-5-6;;/h2*9-13H,1-8H3;2*1-5,7H;;/q2*-1;;;2*+2/p-2/b2*20-13-,25-21+;;;;
InChIKeyGOZIQTXJDHDIGQ-XXKMHUEYSA-L
MW1109.91 g/mol
LogP15.43
Rot. Bonds8

About dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide)

dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide) (PubChem CID 139184213) has the molecular formula C58H68N4Se2Zn2 and a molecular weight of 1109.91 g/mol. Its IUPAC name is dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide).

Molecular Properties

Compound Namedizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide)
PubChem CID139184213
Molecular FormulaC58H68N4Se2Zn2
Molecular Weight1109.91 g/mol
Exact Mass1108.24
IUPAC Namedizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide)
SMILESC/C(=C/C(C)=N/c1c(C)cc(C)cc1C)[N-]c1c(C)cc(C)cc1C.C/C(=C/C(C)=N/c1c(C)cc(C)cc1C)[N-]c1c(C)cc(C)cc1C.[Se-]c1ccccc1.[Se-]c1ccccc1.[Zn+2].[Zn+2]
InChIInChI=1S/2C23H29N2.2C6H6Se.2Zn/c2*1-14-9-16(3)22(17(4)10-14)24-20(7)13-21(8)25-23-18(5)11-15(2)12-19(23)6;2*7-6-4-2-1-3-5-6;;/h2*9-13H,1-8H3;2*1-5,7H;;/q2*-1;;;2*+2/p-2/b2*20-13-,25-21+;;;;
InChIKeyGOZIQTXJDHDIGQ-XXKMHUEYSA-L
XLogP15.43
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.91
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene
CID 139119034
carbanide;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 50907029
carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 146156712
tetramagnesium;tetrakis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);toluene;tetraiodide
CID 139088211
N-(2,4,6-trimethylphenyl)propan-2-imine
CID 129229115
sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide
CID 139240453
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 101458975
copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine
CID 139133313
magnesium;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;2H-pyrazin-2-ide;toluene
CID 139187331
(2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc
CID 139240491
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate
CID 139128645
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;vanadium;trichloride
CID 173243756

Frequently Asked Questions

What is the IUPAC name of dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide)?
The IUPAC name of dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide) (CID 139184213) is dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide).
What is the SMILES notation for dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide)?
The canonical SMILES for dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide) is C/C(=C/C(C)=N/c1c(C)cc(C)cc1C)[N-]c1c(C)cc(C)cc1C.C/C(=C/C(C)=N/c1c(C)cc(C)cc1C)[N-]c1c(C)cc(C)cc1C.[Se-]c1ccccc1.[Se-]c1ccccc1.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide)?
The InChIKey is GOZIQTXJDHDIGQ-XXKMHUEYSA-L. The full InChI is InChI=1S/2C23H29N2.2C6H6Se.2Zn/c2*1-14-9-16(3)22(17(4)10-14)24-20(7)13-21(8)25-23-18(5)11-15(2)12-19(23)6;2*7-6-4-2-1-3-5-6;;/h2*9-13H,1-8H3;2*1-5,7H;;/q2*-1;;;2*+2/p-2/b2*20-13-,25-21+;;;;.
What are the key properties of dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide)?
dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide) has a molecular weight of 1109.91 g/mol, XLogP of 15.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide) is sourced from PubChem (CID 139184213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).