dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene

C88H134Ag2Li2N8O2 — CID 139088227

IUPACdilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene
SMILESC(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C1CCOC1.C1CCOC1.Cc1ccc(C)cc1.[Ag+].[Ag+].[Li+].[Li+]
InChIInChI=1S/4C18H27N2.C8H10.2C4H8O.2Ag.2Li/c4*1-3-7-16(8-4-1)19-18(14-13-15-11-12-15)20-17-9-5-2-6-10-17;1-7-3-5-8(2)6-4-7;2*1-2-4-5-3-1;;;;/h4*15-17H,1-12H2;3-6H,1-2H3;2*1-4H2;;;;/q4*-1;;;;4*+1
InChIKeyNNMIRUYSYVFBBC-UHFFFAOYSA-N
MW1565.71 g/mol
LogP17.25
Rot. Bonds8

About dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene

dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene (PubChem CID 139088227) has the molecular formula C88H134Ag2Li2N8O2 and a molecular weight of 1565.71 g/mol. Its IUPAC name is dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene.

Molecular Properties

Compound Namedilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene
PubChem CID139088227
Molecular FormulaC88H134Ag2Li2N8O2
Molecular Weight1565.71 g/mol
Exact Mass1562.91
IUPAC Namedilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene
SMILESC(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C1CCOC1.C1CCOC1.Cc1ccc(C)cc1.[Ag+].[Ag+].[Li+].[Li+]
InChIInChI=1S/4C18H27N2.C8H10.2C4H8O.2Ag.2Li/c4*1-3-7-16(8-4-1)19-18(14-13-15-11-12-15)20-17-9-5-2-6-10-17;1-7-3-5-8(2)6-4-7;2*1-2-4-5-3-1;;;;/h4*15-17H,1-12H2;3-6H,1-2H3;2*1-4H2;;;;/q4*-1;;;;4*+1
InChIKeyNNMIRUYSYVFBBC-UHFFFAOYSA-N
XLogP17.25
TPSA124.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001565.71
LogP ≤ 517.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

oxane;1,4-xylene
CID 66995829
bis(4-methylbenzenesulfonic acid);oxane
CID 173435913
tetrakis(bis(dimethylsilyl)azanide);bis(cyclohexyl-[N'-cyclohexyl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide);oxolane;bis(yttrium(3+))
CID 139176139
tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+)
CID 11170307
oxane;oxolane;toluene
CID 70182101
2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine
CID 11810448
4-methylpyridine;oxane
CID 158908863
N-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine;methyl 4-methylbenzenesulfonate
CID 175120073
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
2,3-dicyclohexyl-1-methyl-1-(4-methylphenyl)guanidine
CID 101415445

Frequently Asked Questions

What is the IUPAC name of dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene?
The IUPAC name of dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene (CID 139088227) is dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene.
What is the SMILES notation for dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene?
The canonical SMILES for dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene is C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C1CCOC1.C1CCOC1.Cc1ccc(C)cc1.[Ag+].[Ag+].[Li+].[Li+].
What is the InChIKey of dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene?
The InChIKey is NNMIRUYSYVFBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H27N2.C8H10.2C4H8O.2Ag.2Li/c4*1-3-7-16(8-4-1)19-18(14-13-15-11-12-15)20-17-9-5-2-6-10-17;1-7-3-5-8(2)6-4-7;2*1-2-4-5-3-1;;;;/h4*15-17H,1-12H2;3-6H,1-2H3;2*1-4H2;;;;/q4*-1;;;;4*+1.
What are the key properties of dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene?
dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene has a molecular weight of 1565.71 g/mol, XLogP of 17.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene is sourced from PubChem (CID 139088227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).