5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]

C24H16INSi — CID 174062573

IUPAC5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
SMILESIN1c2ccccc2[Si]2(c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C24H16INSi/c25-26-19-11-3-7-15-23(19)27(24-16-8-4-12-20(24)26)21-13-5-1-9-17(21)18-10-2-6-14-22(18)27/h1-16H
InChIKeyKHETWINGTPIKNL-UHFFFAOYSA-N
MW473.39 g/mol
LogP3.85
Rot. Bonds

About 5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]

5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] (PubChem CID 174062573) has the molecular formula C24H16INSi and a molecular weight of 473.39 g/mol. Its IUPAC name is 5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole].

Molecular Properties

Compound Name5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
PubChem CID174062573
Molecular FormulaC24H16INSi
Molecular Weight473.39 g/mol
Exact Mass473.01
IUPAC Name5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
SMILESIN1c2ccccc2[Si]2(c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C24H16INSi/c25-26-19-11-3-7-15-23(19)27(24-16-8-4-12-20(24)26)21-13-5-1-9-17(21)18-10-2-6-14-22(18)27/h1-16H
InChIKeyKHETWINGTPIKNL-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?
The IUPAC name of 5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] (CID 174062573) is 5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole].
What is the SMILES notation for 5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?
The canonical SMILES for 5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] is IN1c2ccccc2[Si]2(c3ccccc3-c3ccccc32)c2ccccc21.
What is the InChIKey of 5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?
The InChIKey is KHETWINGTPIKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16INSi/c25-26-19-11-3-7-15-23(19)27(24-16-8-4-12-20(24)26)21-13-5-1-9-17(21)18-10-2-6-14-22(18)27/h1-16H.
What are the key properties of 5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?
5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] has a molecular weight of 473.39 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodospiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] is sourced from PubChem (CID 174062573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).