carbanide;bis(gold(3+));diisocyanate

C6H12Au2N2O2 — CID 134901435

IUPACcarbanide;bis(gold(3+));diisocyanate
SMILES[Au+3].[Au+3].[CH3-].[CH3-].[CH3-].[CH3-].[N-]=C=O.[N-]=C=O
InChIInChI=1S/2CNO.4CH3.2Au/c2*2-1-3;;;;;;/h;;4*1H3;;/q6*-1;2*+3
InChIKeyJMIKILUAUKNYFZ-UHFFFAOYSA-N
MW538.11 g/mol
LogP1.58
Rot. Bonds

About carbanide;bis(gold(3+));diisocyanate

carbanide;bis(gold(3+));diisocyanate (PubChem CID 134901435) has the molecular formula C6H12Au2N2O2 and a molecular weight of 538.11 g/mol. Its IUPAC name is carbanide;bis(gold(3+));diisocyanate.

Molecular Properties

Compound Namecarbanide;bis(gold(3+));diisocyanate
PubChem CID134901435
Molecular FormulaC6H12Au2N2O2
Molecular Weight538.11 g/mol
Exact Mass538.02
IUPAC Namecarbanide;bis(gold(3+));diisocyanate
SMILES[Au+3].[Au+3].[CH3-].[CH3-].[CH3-].[CH3-].[N-]=C=O.[N-]=C=O
InChIInChI=1S/2CNO.4CH3.2Au/c2*2-1-3;;;;;;/h;;4*1H3;;/q6*-1;2*+3
InChIKeyJMIKILUAUKNYFZ-UHFFFAOYSA-N
XLogP1.58
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.11
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(gold(3+));diisocyanate?
The IUPAC name of carbanide;bis(gold(3+));diisocyanate (CID 134901435) is carbanide;bis(gold(3+));diisocyanate.
What is the SMILES notation for carbanide;bis(gold(3+));diisocyanate?
The canonical SMILES for carbanide;bis(gold(3+));diisocyanate is [Au+3].[Au+3].[CH3-].[CH3-].[CH3-].[CH3-].[N-]=C=O.[N-]=C=O.
What is the InChIKey of carbanide;bis(gold(3+));diisocyanate?
The InChIKey is JMIKILUAUKNYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2CNO.4CH3.2Au/c2*2-1-3;;;;;;/h;;4*1H3;;/q6*-1;2*+3.
What are the key properties of carbanide;bis(gold(3+));diisocyanate?
carbanide;bis(gold(3+));diisocyanate has a molecular weight of 538.11 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(gold(3+));diisocyanate is sourced from PubChem (CID 134901435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).