(2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc

C28H41N2OZn- — CID 139240491

IUPAC(2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc
SMILESCC(C)O.CCc1cccc(CC)c1/N=C(C)\C=C(\C)[N-]c1c(CC)cccc1CC.[Zn]
InChIInChI=1S/C25H33N2.C3H8O.Zn/c1-7-20-13-11-14-21(8-2)24(20)26-18(5)17-19(6)27-25-22(9-3)15-12-16-23(25)10-4;1-3(2)4;/h11-17H,7-10H2,1-6H3;3-4H,1-2H3;/q-1;;/b18-17-,27-19-;;
InChIKeyFOLBJMOOZNHLHU-FLYBXYBOSA-N
MW487.04 g/mol
LogP8.02
Rot. Bonds8

About (2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc

(2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc (PubChem CID 139240491) has the molecular formula C28H41N2OZn- and a molecular weight of 487.04 g/mol. Its IUPAC name is (2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc.

Molecular Properties

Compound Name(2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc
PubChem CID139240491
Molecular FormulaC28H41N2OZn-
Molecular Weight487.04 g/mol
Exact Mass485.25
IUPAC Name(2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc
SMILESCC(C)O.CCc1cccc(CC)c1/N=C(C)\C=C(\C)[N-]c1c(CC)cccc1CC.[Zn]
InChIInChI=1S/C25H33N2.C3H8O.Zn/c1-7-20-13-11-14-21(8-2)24(20)26-18(5)17-19(6)27-25-22(9-3)15-12-16-23(25)10-4;1-3(2)4;/h11-17H,7-10H2,1-6H3;3-4H,1-2H3;/q-1;;/b18-17-,27-19-;;
InChIKeyFOLBJMOOZNHLHU-FLYBXYBOSA-N
XLogP8.02
TPSA46.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.04
LogP ≤ 58.02
H-Bond Donors ≤ 51
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

bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))
CID 139180324
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
bis(trimethylsilyl)azanide;(2,6-diethylphenyl)-[(Z)-4-[(1S,2S)-2-[[(Z)-4-(2,6-diethylphenyl)azanidylpent-3-en-2-ylidene]amino]cyclohexyl]iminopent-2-en-2-yl]azanide;yttrium(3+)
CID 139203929
carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 146156712
carbanide;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 50907029
disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide
CID 139103370
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
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
dialuminum;bis(2-[2-[[(Z)-4-[2,6-di(propan-2-yl)phenyl]azanidylpent-3-en-2-ylidene]amino]-3-propan-2-ylphenyl]propan-2-olate);ethoxyethane;dihydroxide
CID 139138441
cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene
CID 139119034
2-N-(2,6-diethylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 87861081
copper;4-tert-butylphenolate;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide
CID 139133972

Frequently Asked Questions

What is the IUPAC name of (2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc?
The IUPAC name of (2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc (CID 139240491) is (2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc.
What is the SMILES notation for (2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc?
The canonical SMILES for (2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc is CC(C)O.CCc1cccc(CC)c1/N=C(C)\C=C(\C)[N-]c1c(CC)cccc1CC.[Zn].
What is the InChIKey of (2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc?
The InChIKey is FOLBJMOOZNHLHU-FLYBXYBOSA-N. The full InChI is InChI=1S/C25H33N2.C3H8O.Zn/c1-7-20-13-11-14-21(8-2)24(20)26-18(5)17-19(6)27-25-22(9-3)15-12-16-23(25)10-4;1-3(2)4;/h11-17H,7-10H2,1-6H3;3-4H,1-2H3;/q-1;;/b18-17-,27-19-;;.
What are the key properties of (2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc?
(2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc has a molecular weight of 487.04 g/mol, XLogP of 8.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc is sourced from PubChem (CID 139240491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).