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+)

C42H68N5Si2Y — CID 139203929

IUPACbis(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+)
SMILESCCc1cccc(CC)c1[N-]/C(C)=C\C(C)=N\[C@H]1CCCC[C@@H]1/N=C(C)/C=C(/C)[N-]c1c(CC)cccc1CC.C[Si](C)(C)[N-][Si](C)(C)C.[Y+3]
InChIInChI=1S/C36H50N4.C6H18NSi2.Y/c1-9-29-17-15-18-30(10-2)35(29)39-27(7)23-25(5)37-33-21-13-14-22-34(33)38-26(6)24-28(8)40-36-31(11-3)19-16-20-32(36)12-4;1-8(2,3)7-9(4,5)6;/h15-20,23-24,33-34H,9-14,21-22H2,1-8H3;1-6H3;/q-2;-1;+3/b27-23-,28-24-,37-25+,38-26+;;/t33-,34-;;/m0../s1
InChIKeyWIIJLDDJNQTREK-IPJJVQMSSA-N
MW788.12 g/mol
LogP13.71
Rot. Bonds14

About 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+)

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+) (PubChem CID 139203929) has the molecular formula C42H68N5Si2Y and a molecular weight of 788.12 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Namebis(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+)
PubChem CID139203929
Molecular FormulaC42H68N5Si2Y
Molecular Weight788.12 g/mol
Exact Mass787.41
IUPAC Namebis(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+)
SMILESCCc1cccc(CC)c1[N-]/C(C)=C\C(C)=N\[C@H]1CCCC[C@@H]1/N=C(C)/C=C(/C)[N-]c1c(CC)cccc1CC.C[Si](C)(C)[N-][Si](C)(C)C.[Y+3]
InChIInChI=1S/C36H50N4.C6H18NSi2.Y/c1-9-29-17-15-18-30(10-2)35(29)39-27(7)23-25(5)37-33-21-13-14-22-34(33)38-26(6)24-28(8)40-36-31(11-3)19-16-20-32(36)12-4;1-8(2,3)7-9(4,5)6;/h15-20,23-24,33-34H,9-14,21-22H2,1-8H3;1-6H3;/q-2;-1;+3/b27-23-,28-24-,37-25+,38-26+;;/t33-,34-;;/m0../s1
InChIKeyWIIJLDDJNQTREK-IPJJVQMSSA-N
XLogP13.71
TPSA67.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.12
LogP ≤ 513.71
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'}

Analyze 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+) with MolForge

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Related Compounds

(2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc
CID 139240491
disodium;(2,6-diethylphenyl)-[(Z)-3-(2,6-diethylphenyl)azanidylbut-2-en-2-yl]azanide
CID 139103370
bis(trimethylsilyl)azanide;(2,6-diethylphenyl)-[4-(2,6-diethylphenyl)azanidylpentan-2-yl]azanide;zinc
CID 153434007
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
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
(2,6-diethylphenyl)-[2,4,5-tris[(2,6-diethylphenyl)azanidyl]phenyl]azanide;bis(nickel(3+));bis((Z)-4-oxopent-2-en-2-olate)
CID 139165351
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
N'-(2,6-diethylphenyl)cyclohexanecarboximidamide
CID 63174092
N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43764536
1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
CID 116511634
N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide
CID 101174794

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CCc1cccc(CC)c1[N-]/C(C)=C\C(C)=N\[C@H]1CCCC[C@@H]1/N=C(C)/C=C(/C)[N-]c1c(CC)cccc1CC.C[Si](C)(C)[N-][Si](C)(C)C.[Y+3].
What is the InChIKey of 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+)?
The InChIKey is WIIJLDDJNQTREK-IPJJVQMSSA-N. The full InChI is InChI=1S/C36H50N4.C6H18NSi2.Y/c1-9-29-17-15-18-30(10-2)35(29)39-27(7)23-25(5)37-33-21-13-14-22-34(33)38-26(6)24-28(8)40-36-31(11-3)19-16-20-32(36)12-4;1-8(2,3)7-9(4,5)6;/h15-20,23-24,33-34H,9-14,21-22H2,1-8H3;1-6H3;/q-2;-1;+3/b27-23-,28-24-,37-25+,38-26+;;/t33-,34-;;/m0../s1.
What are the key properties of 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+)?
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+) has a molecular weight of 788.12 g/mol, XLogP of 13.71, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 139203929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).