1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium)

C10H8N2Pd2 — CID 140607349

IUPAC1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium)
SMILES[C-]#[N+]c1ccccc1C(C)[N+]#[C-].[Pd].[Pd]
InChIInChI=1S/C10H8N2.2Pd/c1-8(11-2)9-6-4-5-7-10(9)12-3;;/h4-8H,1H3;;
InChIKeyQIUGNUXSOMDFOU-UHFFFAOYSA-N
MW369.03 g/mol
LogP3.21
Rot. Bonds1

About 1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium)

1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium) (PubChem CID 140607349) has the molecular formula C10H8N2Pd2 and a molecular weight of 369.03 g/mol. Its IUPAC name is 1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium).

Molecular Properties

Compound Name1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium)
PubChem CID140607349
Molecular FormulaC10H8N2Pd2
Molecular Weight369.03 g/mol
Exact Mass367.88
IUPAC Name1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium)
SMILES[C-]#[N+]c1ccccc1C(C)[N+]#[C-].[Pd].[Pd]
InChIInChI=1S/C10H8N2.2Pd/c1-8(11-2)9-6-4-5-7-10(9)12-3;;/h4-8H,1H3;;
InChIKeyQIUGNUXSOMDFOU-UHFFFAOYSA-N
XLogP3.21
TPSA8.72 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.03
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium)?
The IUPAC name of 1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium) (CID 140607349) is 1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium).
What is the SMILES notation for 1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium)?
The canonical SMILES for 1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium) is [C-]#[N+]c1ccccc1C(C)[N+]#[C-].[Pd].[Pd].
What is the InChIKey of 1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium)?
The InChIKey is QIUGNUXSOMDFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.2Pd/c1-8(11-2)9-6-4-5-7-10(9)12-3;;/h4-8H,1H3;;.
What are the key properties of 1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium)?
1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium) has a molecular weight of 369.03 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyano-2-(1-isocyanoethyl)benzene;bis(palladium) is sourced from PubChem (CID 140607349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).