dimethyl(phenylmethylidene)azanium;gold(3+);dichloride

C9H11AuCl2N+ — CID 54697252

IUPACdimethyl(phenylmethylidene)azanium;gold(3+);dichloride
SMILESC[N+](C)=Cc1[c-]cccc1.[Au+3].[Cl-].[Cl-]
InChIInChI=1S/C9H11N.Au.2ClH/c1-10(2)8-9-6-4-3-5-7-9;;;/h3-6,8H,1-2H3;;2*1H/q;+3;;/p-2
InChIKeyRZECFXADLSYCPO-UHFFFAOYSA-L
MW401.07 g/mol
LogP-4.82
Rot. Bonds1

About dimethyl(phenylmethylidene)azanium;gold(3+);dichloride

dimethyl(phenylmethylidene)azanium;gold(3+);dichloride (PubChem CID 54697252) has the molecular formula C9H11AuCl2N+ and a molecular weight of 401.07 g/mol. Its IUPAC name is dimethyl(phenylmethylidene)azanium;gold(3+);dichloride.

Molecular Properties

Compound Namedimethyl(phenylmethylidene)azanium;gold(3+);dichloride
PubChem CID54697252
Molecular FormulaC9H11AuCl2N+
Molecular Weight401.07 g/mol
Exact Mass399.99
IUPAC Namedimethyl(phenylmethylidene)azanium;gold(3+);dichloride
SMILESC[N+](C)=Cc1[c-]cccc1.[Au+3].[Cl-].[Cl-]
InChIInChI=1S/C9H11N.Au.2ClH/c1-10(2)8-9-6-4-3-5-7-9;;;/h3-6,8H,1-2H3;;2*1H/q;+3;;/p-2
InChIKeyRZECFXADLSYCPO-UHFFFAOYSA-L
XLogP-4.82
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.07
LogP ≤ 5-4.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(phenylmethylidene)azanium;gold(3+);dichloride?
The IUPAC name of dimethyl(phenylmethylidene)azanium;gold(3+);dichloride (CID 54697252) is dimethyl(phenylmethylidene)azanium;gold(3+);dichloride.
What is the SMILES notation for dimethyl(phenylmethylidene)azanium;gold(3+);dichloride?
The canonical SMILES for dimethyl(phenylmethylidene)azanium;gold(3+);dichloride is C[N+](C)=Cc1[c-]cccc1.[Au+3].[Cl-].[Cl-].
What is the InChIKey of dimethyl(phenylmethylidene)azanium;gold(3+);dichloride?
The InChIKey is RZECFXADLSYCPO-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H11N.Au.2ClH/c1-10(2)8-9-6-4-3-5-7-9;;;/h3-6,8H,1-2H3;;2*1H/q;+3;;/p-2.
What are the key properties of dimethyl(phenylmethylidene)azanium;gold(3+);dichloride?
dimethyl(phenylmethylidene)azanium;gold(3+);dichloride has a molecular weight of 401.07 g/mol, XLogP of -4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenylmethylidene)azanium;gold(3+);dichloride is sourced from PubChem (CID 54697252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).