cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene

C28H33CoN2- — CID 139119034

IUPACcobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene
SMILESC/C(=C/C(C)=N/c1c(C)cccc1C)[N-]c1c(C)cccc1C.Cc1ccccc1.[Co]
InChIInChI=1S/C21H25N2.C7H8.Co/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4;1-7-5-3-2-4-6-7;/h7-13H,1-6H3;2-6H,1H3;/q-1;;/b18-13-,23-19+;;
InChIKeyMJFRYMHADFNAMF-LJBBPXFASA-N
MW456.52 g/mol
LogP8.61
Rot. Bonds4

About cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene

cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene (PubChem CID 139119034) has the molecular formula C28H33CoN2- and a molecular weight of 456.52 g/mol. Its IUPAC name is cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene.

Molecular Properties

Compound Namecobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene
PubChem CID139119034
Molecular FormulaC28H33CoN2-
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC Namecobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene
SMILESC/C(=C/C(C)=N/c1c(C)cccc1C)[N-]c1c(C)cccc1C.Cc1ccccc1.[Co]
InChIInChI=1S/C21H25N2.C7H8.Co/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4;1-7-5-3-2-4-6-7;/h7-13H,1-6H3;2-6H,1H3;/q-1;;/b18-13-,23-19+;;
InChIKeyMJFRYMHADFNAMF-LJBBPXFASA-N
XLogP8.61
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide)
CID 139184213
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
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
bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium
CID 139114175
1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine
CID 139160848
sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide
CID 139240453
(Z)-3-(2,6-dimethylphenyl)imino-1-(2,4,6-triphenylphenyl)but-1-en-1-ol;trichlorotungsten
CID 135997415
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
(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

Frequently Asked Questions

What is the IUPAC name of cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene?
The IUPAC name of cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene (CID 139119034) is cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene.
What is the SMILES notation for cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene?
The canonical SMILES for cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene is C/C(=C/C(C)=N/c1c(C)cccc1C)[N-]c1c(C)cccc1C.Cc1ccccc1.[Co].
What is the InChIKey of cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene?
The InChIKey is MJFRYMHADFNAMF-LJBBPXFASA-N. The full InChI is InChI=1S/C21H25N2.C7H8.Co/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4;1-7-5-3-2-4-6-7;/h7-13H,1-6H3;2-6H,1H3;/q-1;;/b18-13-,23-19+;;.
What are the key properties of cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene?
cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene has a molecular weight of 456.52 g/mol, XLogP of 8.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene is sourced from PubChem (CID 139119034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).