7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene]

C16H12N4Si — CID 58250031

IUPAC7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene]
SMILESc1cc2n(c1)[Si]1(n3cccc3-2)n2cccc2-c2cccn21
InChIInChI=1S/C16H12N4Si/c1-5-13-14-6-2-10-18(14)21(17(13)9-1)19-11-3-7-15(19)16-8-4-12-20(16)21/h1-12H
InChIKeyJZSUKXHQKGZVHC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.78
Rot. Bonds

About 7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene]

7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene] (PubChem CID 58250031) has the molecular formula C16H12N4Si and a molecular weight of 288.39 g/mol. Its IUPAC name is 7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene].

Molecular Properties

Compound Name7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene]
PubChem CID58250031
Molecular FormulaC16H12N4Si
Molecular Weight288.39 g/mol
Exact Mass288.08
IUPAC Name7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene]
SMILESc1cc2n(c1)[Si]1(n3cccc3-2)n2cccc2-c2cccn21
InChIInChI=1S/C16H12N4Si/c1-5-13-14-6-2-10-18(14)21(17(13)9-1)19-11-3-7-15(19)16-8-4-12-20(16)21/h1-12H
InChIKeyJZSUKXHQKGZVHC-UHFFFAOYSA-N
XLogP2.78
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene]?
The IUPAC name of 7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene] (CID 58250031) is 7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene].
What is the SMILES notation for 7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene]?
The canonical SMILES for 7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene] is c1cc2n(c1)[Si]1(n3cccc3-2)n2cccc2-c2cccn21.
What is the InChIKey of 7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene]?
The InChIKey is JZSUKXHQKGZVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4Si/c1-5-13-14-6-2-10-18(14)21(17(13)9-1)19-11-3-7-15(19)16-8-4-12-20(16)21/h1-12H.
What are the key properties of 7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene]?
7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene] has a molecular weight of 288.39 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7'-spirobi[6,8-diaza-7-silatricyclo[6.3.0.02,6]undeca-1(11),2,4,9-tetraene] is sourced from PubChem (CID 58250031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).