tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate

C90H174Er2N12S2Si8 — CID 139132145

IUPACtetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate
SMILESC[Si](C)(C)N(/C(=N\C1CCCCC1)[N-]C1CCCCC1)[Si](C)(C)C.C[Si](C)(C)N(/C(=N\C1CCCCC1)[N-]C1CCCCC1)[Si](C)(C)C.C[Si](C)(C)N(/C(=N\C1CCCCC1)[N-]C1CCCCC1)[Si](C)(C)C.C[Si](C)(C)N(/C(=N\C1CCCCC1)[N-]C1CCCCC1)[Si](C)(C)C.[Er+3].[Er+3].[S-]Cc1ccccc1.[S-]Cc1ccccc1
InChIInChI=1S/4C19H40N3Si2.2C7H8S.2Er/c4*1-23(2,3)22(24(4,5)6)19(20-17-13-9-7-10-14-17)21-18-15-11-8-12-16-18;2*8-6-7-4-2-1-3-5-7;;/h4*17-18H,7-16H2,1-6H3;2*1-5,8H,6H2;;/q4*-1;;;2*+3/p-2
InChIKeyGVOQMFRIEOCFTK-UHFFFAOYSA-L
MW2047.81 g/mol
LogP28.88
Rot. Bonds18

About tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate

tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate (PubChem CID 139132145) has the molecular formula C90H174Er2N12S2Si8 and a molecular weight of 2047.81 g/mol. Its IUPAC name is tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate.

Molecular Properties

Compound Nametetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate
PubChem CID139132145
Molecular FormulaC90H174Er2N12S2Si8
Molecular Weight2047.81 g/mol
Exact Mass2043.02
IUPAC Nametetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate
SMILESC[Si](C)(C)N(/C(=N\C1CCCCC1)[N-]C1CCCCC1)[Si](C)(C)C.C[Si](C)(C)N(/C(=N\C1CCCCC1)[N-]C1CCCCC1)[Si](C)(C)C.C[Si](C)(C)N(/C(=N\C1CCCCC1)[N-]C1CCCCC1)[Si](C)(C)C.C[Si](C)(C)N(/C(=N\C1CCCCC1)[N-]C1CCCCC1)[Si](C)(C)C.[Er+3].[Er+3].[S-]Cc1ccccc1.[S-]Cc1ccccc1
InChIInChI=1S/4C19H40N3Si2.2C7H8S.2Er/c4*1-23(2,3)22(24(4,5)6)19(20-17-13-9-7-10-14-17)21-18-15-11-8-12-16-18;2*8-6-7-4-2-1-3-5-7;;/h4*17-18H,7-16H2,1-6H3;2*1-5,8H,6H2;;/q4*-1;;;2*+3/p-2
InChIKeyGVOQMFRIEOCFTK-UHFFFAOYSA-L
XLogP28.88
TPSA118.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002047.81
LogP ≤ 528.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-cycloheptyl-2-phenylethanimidamide
CID 61360529
nickel(2+);phenylmethanethiolate
CID 6098233
2-phenylethyl N,N'-dicyclohexylcarbamimidate
CID 11727199
2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
CID 62369558
N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine
CID 20702004
2,3-dicyclohexyl-1,1-bis(trimethylsilyl)guanidine
CID 15398506
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
CID 116515036
N'-cyclohexyl-N-phenylfuran-2-carboximidamide
CID 24838234
1-benzyl-1-cyclohexylhydrazine;hydrochloride
CID 3028713
N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine
CID 11983653
2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
CID 11087669
1,2-dicyclohexyl-3-phenylmethoxyguanidine
CID 10426726

Frequently Asked Questions

What is the IUPAC name of tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate?
The IUPAC name of tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate (CID 139132145) is tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate.
What is the SMILES notation for tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate?
The canonical SMILES for tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate is C[Si](C)(C)N(/C(=N\C1CCCCC1)[N-]C1CCCCC1)[Si](C)(C)C.C[Si](C)(C)N(/C(=N\C1CCCCC1)[N-]C1CCCCC1)[Si](C)(C)C.C[Si](C)(C)N(/C(=N\C1CCCCC1)[N-]C1CCCCC1)[Si](C)(C)C.C[Si](C)(C)N(/C(=N\C1CCCCC1)[N-]C1CCCCC1)[Si](C)(C)C.[Er+3].[Er+3].[S-]Cc1ccccc1.[S-]Cc1ccccc1.
What is the InChIKey of tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate?
The InChIKey is GVOQMFRIEOCFTK-UHFFFAOYSA-L. The full InChI is InChI=1S/4C19H40N3Si2.2C7H8S.2Er/c4*1-23(2,3)22(24(4,5)6)19(20-17-13-9-7-10-14-17)21-18-15-11-8-12-16-18;2*8-6-7-4-2-1-3-5-7;;/h4*17-18H,7-16H2,1-6H3;2*1-5,8H,6H2;;/q4*-1;;;2*+3/p-2.
What are the key properties of tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate?
tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate has a molecular weight of 2047.81 g/mol, XLogP of 28.88, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);bis(erbium(3+));phenylmethanethiolate is sourced from PubChem (CID 139132145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).