CID 6396272

C26H44Al2N2-6 — CID 6396272

IUPAC—
SMILESCC(C)(C)C[N-]c1ccccc1.CC(C)(C)C[N-]c1ccccc1.[Al].[Al].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/2C11H16N.4CH3.2Al/c2*1-11(2,3)9-12-10-7-5-4-6-8-10;;;;;;/h2*4-8H,9H2,1-3H3;4*1H3;;/q6*-1;;
InChIKeyIUCIHIZRRQENNJ-UHFFFAOYSA-N
MW438.62 g/mol
LogP8.52
Rot. Bonds4

About CID 6396272

CID 6396272 (PubChem CID 6396272) has the molecular formula C26H44Al2N2-6 and a molecular weight of 438.62 g/mol.

Molecular Properties

Compound NameCID 6396272
PubChem CID6396272
Molecular FormulaC26H44Al2N2-6
Molecular Weight438.62 g/mol
Exact Mass438.32
IUPAC Name—
SMILESCC(C)(C)C[N-]c1ccccc1.CC(C)(C)C[N-]c1ccccc1.[Al].[Al].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/2C11H16N.4CH3.2Al/c2*1-11(2,3)9-12-10-7-5-4-6-8-10;;;;;;/h2*4-8H,9H2,1-3H3;4*1H3;;/q6*-1;;
InChIKeyIUCIHIZRRQENNJ-UHFFFAOYSA-N
XLogP8.52
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 58.52
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 CID 6396272?
The IUPAC name of CID 6396272 (CID 6396272) is not available.
What is the SMILES notation for CID 6396272?
The canonical SMILES for CID 6396272 is CC(C)(C)C[N-]c1ccccc1.CC(C)(C)C[N-]c1ccccc1.[Al].[Al].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of CID 6396272?
The InChIKey is IUCIHIZRRQENNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16N.4CH3.2Al/c2*1-11(2,3)9-12-10-7-5-4-6-8-10;;;;;;/h2*4-8H,9H2,1-3H3;4*1H3;;/q6*-1;;.
What are the key properties of CID 6396272?
CID 6396272 has a molecular weight of 438.62 g/mol, XLogP of 8.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6396272 is sourced from PubChem (CID 6396272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).