potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride

C57H87Cl2KN3O3Y — CID 139151141

IUPACpotassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride
SMILESC1CCOC1.CC(C)c1cccc(C(C)C)c1/N=C/C(=C\[N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.CC(C)c1cccc(C(C)C)c1[NH-].CCOCC.CCOCC.[Cl-].[Cl-].[K+].[Y+3]
InChIInChI=1S/C33H41N2.C12H18N.C4H8O.2C4H10O.2ClH.K.Y/c1-22(2)28-16-12-17-29(23(3)4)32(28)34-20-27(26-14-10-9-11-15-26)21-35-33-30(24(5)6)18-13-19-31(33)25(7)8;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-2-4-5-3-1;2*1-3-5-4-2;;;;/h9-25H,1-8H3;5-9,13H,1-4H3;1-4H2;2*3-4H2,1-2H3;2*1H;;/q2*-1;;;;;;+1;+3/p-2/b27-20+,35-21+;;;;;;;;
InChIKeyHPUXHGCWWKKZIU-YKFSORTNSA-L
MW1061.25 g/mol
LogP9.14
Rot. Bonds15

About potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride

potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride (PubChem CID 139151141) has the molecular formula C57H87Cl2KN3O3Y and a molecular weight of 1061.25 g/mol. Its IUPAC name is potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride.

Molecular Properties

Compound Namepotassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride
PubChem CID139151141
Molecular FormulaC57H87Cl2KN3O3Y
Molecular Weight1061.25 g/mol
Exact Mass1059.48
IUPAC Namepotassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride
SMILESC1CCOC1.CC(C)c1cccc(C(C)C)c1/N=C/C(=C\[N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.CC(C)c1cccc(C(C)C)c1[NH-].CCOCC.CCOCC.[Cl-].[Cl-].[K+].[Y+3]
InChIInChI=1S/C33H41N2.C12H18N.C4H8O.2C4H10O.2ClH.K.Y/c1-22(2)28-16-12-17-29(23(3)4)32(28)34-20-27(26-14-10-9-11-15-26)21-35-33-30(24(5)6)18-13-19-31(33)25(7)8;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-2-4-5-3-1;2*1-3-5-4-2;;;;/h9-25H,1-8H3;5-9,13H,1-4H3;1-4H2;2*3-4H2,1-2H3;2*1H;;/q2*-1;;;;;;+1;+3/p-2/b27-20+,35-21+;;;;;;;;
InChIKeyHPUXHGCWWKKZIU-YKFSORTNSA-L
XLogP9.14
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.25
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride with MolForge

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Related Compounds

carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium
CID 139189759
N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline
CID 15909342
bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;samarium
CID 139173336
lithium;[2,6-di(propan-2-yl)phenyl]-[1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethenyl]azanide;oxolane;toluene
CID 139106349
benzenethiolate;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;oxolane;samarium(3+)
CID 162409254
azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;manganese(2+);oxolane
CID 153286122
methyl 2-[2,6-di(propan-2-yl)phenyl]iminoacetate
CID 59080028
9-N,10-N-bis[2,6-di(propan-2-yl)phenyl]phenanthrene-9,10-diimine;oxolane
CID 139157818
tris(2,6-di(propan-2-yl)phenolate);lanthanum(3+);oxolane
CID 139157940
lithium;[C-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]carbonimidoyl]-[2,6-di(propan-2-yl)phenyl]phosphanide;oxolane
CID 139150307
tris(2,6-di(propan-2-yl)phenolate);neodymium(3+);oxolane;toluene
CID 139157933
bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
CID 139115698

Frequently Asked Questions

What is the IUPAC name of potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride?
The IUPAC name of potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride (CID 139151141) is potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride.
What is the SMILES notation for potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride?
The canonical SMILES for potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride is C1CCOC1.CC(C)c1cccc(C(C)C)c1/N=C/C(=C\[N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.CC(C)c1cccc(C(C)C)c1[NH-].CCOCC.CCOCC.[Cl-].[Cl-].[K+].[Y+3].
What is the InChIKey of potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride?
The InChIKey is HPUXHGCWWKKZIU-YKFSORTNSA-L. The full InChI is InChI=1S/C33H41N2.C12H18N.C4H8O.2C4H10O.2ClH.K.Y/c1-22(2)28-16-12-17-29(23(3)4)32(28)34-20-27(26-14-10-9-11-15-26)21-35-33-30(24(5)6)18-13-19-31(33)25(7)8;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-2-4-5-3-1;2*1-3-5-4-2;;;;/h9-25H,1-8H3;5-9,13H,1-4H3;1-4H2;2*3-4H2,1-2H3;2*1H;;/q2*-1;;;;;;+1;+3/p-2/b27-20+,35-21+;;;;;;;;.
What are the key properties of potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride?
potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride has a molecular weight of 1061.25 g/mol, XLogP of 9.14, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]azanide;ethoxyethane;oxolane;yttrium(3+);dichloride is sourced from PubChem (CID 139151141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).