disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate)

C64H64Ag2Au2N4S4 — CID 139252269

IUPACdisilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate)
SMILESCc1cc(C)c(/C=N/c2ccccc2[S-])c(C)c1.Cc1cc(C)c(/C=N/c2ccccc2[S-])c(C)c1.Cc1cc(C)c(/C=N/c2ccccc2[S-])c(C)c1.Cc1cc(C)c(/C=N/c2ccccc2[S-])c(C)c1.[Ag+].[Ag+].[Au+].[Au+]
InChIInChI=1S/4C16H17NS.2Ag.2Au/c4*1-11-8-12(2)14(13(3)9-11)10-17-15-6-4-5-7-16(15)18;;;;/h4*4-10,18H,1-3H3;;;;/q;;;;4*+1/p-4/b4*17-10+;;;;
InChIKeyBZLSQXLIJQKLEN-WNUACZBFSA-J
MW1627.18 g/mol
LogP17.06
Rot. Bonds8

About disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate)

disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate) (PubChem CID 139252269) has the molecular formula C64H64Ag2Au2N4S4 and a molecular weight of 1627.18 g/mol. Its IUPAC name is disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate).

Molecular Properties

Compound Namedisilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate)
PubChem CID139252269
Molecular FormulaC64H64Ag2Au2N4S4
Molecular Weight1627.18 g/mol
Exact Mass1624.14
IUPAC Namedisilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate)
SMILESCc1cc(C)c(/C=N/c2ccccc2[S-])c(C)c1.Cc1cc(C)c(/C=N/c2ccccc2[S-])c(C)c1.Cc1cc(C)c(/C=N/c2ccccc2[S-])c(C)c1.Cc1cc(C)c(/C=N/c2ccccc2[S-])c(C)c1.[Ag+].[Ag+].[Au+].[Au+]
InChIInChI=1S/4C16H17NS.2Ag.2Au/c4*1-11-8-12(2)14(13(3)9-11)10-17-15-6-4-5-7-16(15)18;;;;/h4*4-10,18H,1-3H3;;;;/q;;;;4*+1/p-4/b4*17-10+;;;;
InChIKeyBZLSQXLIJQKLEN-WNUACZBFSA-J
XLogP17.06
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001627.18
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate)?
The IUPAC name of disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate) (CID 139252269) is disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate).
What is the SMILES notation for disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate)?
The canonical SMILES for disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate) is Cc1cc(C)c(/C=N/c2ccccc2[S-])c(C)c1.Cc1cc(C)c(/C=N/c2ccccc2[S-])c(C)c1.Cc1cc(C)c(/C=N/c2ccccc2[S-])c(C)c1.Cc1cc(C)c(/C=N/c2ccccc2[S-])c(C)c1.[Ag+].[Ag+].[Au+].[Au+].
What is the InChIKey of disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate)?
The InChIKey is BZLSQXLIJQKLEN-WNUACZBFSA-J. The full InChI is InChI=1S/4C16H17NS.2Ag.2Au/c4*1-11-8-12(2)14(13(3)9-11)10-17-15-6-4-5-7-16(15)18;;;;/h4*4-10,18H,1-3H3;;;;/q;;;;4*+1/p-4/b4*17-10+;;;;.
What are the key properties of disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate)?
disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate) has a molecular weight of 1627.18 g/mol, XLogP of 17.06, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate) is sourced from PubChem (CID 139252269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).