carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium

C94H165Co2N5O4Si3-4 — CID 157189476

IUPACcarbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium
SMILESCCCC[N+](CCCC)(CCCC)CCC[Si](C)(C)c1cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc([Si](C)(C)CCCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CCCC[Si](C)(C)c1cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Co].[Co]
InChIInChI=1S/C51H89N3O2Si2.C38H60N2O2Si.5CH3.2Co/c1-15-19-28-54(29-20-16-2,30-21-17-3)31-25-33-58(13,14)43-35-41(49(56)45(37-43)51(8,9)10)39-53-47-27-24-23-26-46(47)52-38-40-34-42(57(11,12)32-22-18-4)36-44(48(40)55)50(5,6)7;1-13-14-19-43(11,12)29-21-27(35(42)31(23-29)38(8,9)10)25-40-33-18-16-15-17-32(33)39-24-26-20-28(36(2,3)4)22-30(34(26)41)37(5,6)7;;;;;;;/h34-39,46-47H,15-33H2,1-14H3,(H-,52,53,55,56);20-25,32-33,41-42H,13-19H2,1-12H3;5*1H3;;/q;;5*-1;;/p+1/b;39-24+,40-25+;;;;;;;/t46-,47-;32-,33-;;;;;;;/m00......./s1
InChIKeyRIHHFFBQDAMDEH-HTBRYTFOSA-O
MW1631.51 g/mol
LogP24.58
Rot. Bonds30

About carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium

carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium (PubChem CID 157189476) has the molecular formula C94H165Co2N5O4Si3-4 and a molecular weight of 1631.51 g/mol. Its IUPAC name is carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium.

Molecular Properties

Compound Namecarbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium
PubChem CID157189476
Molecular FormulaC94H165Co2N5O4Si3-4
Molecular Weight1631.51 g/mol
Exact Mass1630.09
IUPAC Namecarbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium
SMILESCCCC[N+](CCCC)(CCCC)CCC[Si](C)(C)c1cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc([Si](C)(C)CCCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CCCC[Si](C)(C)c1cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Co].[Co]
InChIInChI=1S/C51H89N3O2Si2.C38H60N2O2Si.5CH3.2Co/c1-15-19-28-54(29-20-16-2,30-21-17-3)31-25-33-58(13,14)43-35-41(49(56)45(37-43)51(8,9)10)39-53-47-27-24-23-26-46(47)52-38-40-34-42(57(11,12)32-22-18-4)36-44(48(40)55)50(5,6)7;1-13-14-19-43(11,12)29-21-27(35(42)31(23-29)38(8,9)10)25-40-33-18-16-15-17-32(33)39-24-26-20-28(36(2,3)4)22-30(34(26)41)37(5,6)7;;;;;;;/h34-39,46-47H,15-33H2,1-14H3,(H-,52,53,55,56);20-25,32-33,41-42H,13-19H2,1-12H3;5*1H3;;/q;;5*-1;;/p+1/b;39-24+,40-25+;;;;;;;/t46-,47-;32-,33-;;;;;;;/m00......./s1
InChIKeyRIHHFFBQDAMDEH-HTBRYTFOSA-O
XLogP24.58
TPSA130.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001631.51
LogP ≤ 524.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium with MolForge

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Related Compounds

2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639
[4-[3-[[2-[[5-[1,7-bis(tributylazaniumyl)heptan-4-yl]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-5-tert-butyl-4-hydroxyphenyl]-7-(tributylazaniumyl)heptyl]-tributylazanium
CID 139291160
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 146161249
chromium;2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;hydrochloride
CID 166597440
cobalt(3+);2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;triiodide
CID 173086543
chromium;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;chloride
CID 170923546
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium
CID 136664418
carbanide;cobalt;methane;propanedioic acid;tributyl-[4-[4-hydroxy-3-[[2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-5-methylphenyl]-4-methyl-7-(tributylazaniumyl)heptyl]azanium
CID 159721589
2-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3,5-triol
CID 137125280
chromium;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;methane;azide
CID 137286067
cobalt(2+);2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;diacetate
CID 173167408

Frequently Asked Questions

What is the IUPAC name of carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium?
The IUPAC name of carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium (CID 157189476) is carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium.
What is the SMILES notation for carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium?
The canonical SMILES for carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium is CCCC[N+](CCCC)(CCCC)CCC[Si](C)(C)c1cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc([Si](C)(C)CCCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CCCC[Si](C)(C)c1cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Co].[Co].
What is the InChIKey of carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium?
The InChIKey is RIHHFFBQDAMDEH-HTBRYTFOSA-O. The full InChI is InChI=1S/C51H89N3O2Si2.C38H60N2O2Si.5CH3.2Co/c1-15-19-28-54(29-20-16-2,30-21-17-3)31-25-33-58(13,14)43-35-41(49(56)45(37-43)51(8,9)10)39-53-47-27-24-23-26-46(47)52-38-40-34-42(57(11,12)32-22-18-4)36-44(48(40)55)50(5,6)7;1-13-14-19-43(11,12)29-21-27(35(42)31(23-29)38(8,9)10)25-40-33-18-16-15-17-32(33)39-24-26-20-28(36(2,3)4)22-30(34(26)41)37(5,6)7;;;;;;;/h34-39,46-47H,15-33H2,1-14H3,(H-,52,53,55,56);20-25,32-33,41-42H,13-19H2,1-12H3;5*1H3;;/q;;5*-1;;/p+1/b;39-24+,40-25+;;;;;;;/t46-,47-;32-,33-;;;;;;;/m00......./s1.
What are the key properties of carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium?
carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium has a molecular weight of 1631.51 g/mol, XLogP of 24.58, 30 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cobalt;2,4-ditert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol;tributyl-[3-[[3-tert-butyl-5-[[(1S,2S)-2-[[3-tert-butyl-5-[butyl(dimethyl)silyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl]-dimethylsilyl]propyl]azanium is sourced from PubChem (CID 157189476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).