5,5'-spirobi[dibenzoselenophene]

C24H16Se — CID 14399752

IUPAC5,5'-spirobi[dibenzoselenophene]
SMILESc1ccc2c(c1)-c1ccccc1[Se]21c2ccccc2-c2ccccc21
InChIInChI=1S/C24H16Se/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-16H
InChIKeyZQBNIGJAFCJLQT-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.02
Rot. Bonds

About 5,5'-spirobi[dibenzoselenophene]

5,5'-spirobi[dibenzoselenophene] (PubChem CID 14399752) has the molecular formula C24H16Se and a molecular weight of 383.35 g/mol. Its IUPAC name is 5,5'-spirobi[dibenzoselenophene].

Molecular Properties

Compound Name5,5'-spirobi[dibenzoselenophene]
PubChem CID14399752
Molecular FormulaC24H16Se
Molecular Weight383.35 g/mol
Exact Mass384.04
IUPAC Name5,5'-spirobi[dibenzoselenophene]
SMILESc1ccc2c(c1)-c1ccccc1[Se]21c2ccccc2-c2ccccc21
InChIInChI=1S/C24H16Se/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-16H
InChIKeyZQBNIGJAFCJLQT-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 5,5'-spirobi[dibenzoselenophene]?
The IUPAC name of 5,5'-spirobi[dibenzoselenophene] (CID 14399752) is 5,5'-spirobi[dibenzoselenophene].
What is the SMILES notation for 5,5'-spirobi[dibenzoselenophene]?
The canonical SMILES for 5,5'-spirobi[dibenzoselenophene] is c1ccc2c(c1)-c1ccccc1[Se]21c2ccccc2-c2ccccc21.
What is the InChIKey of 5,5'-spirobi[dibenzoselenophene]?
The InChIKey is ZQBNIGJAFCJLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Se/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-16H.
What are the key properties of 5,5'-spirobi[dibenzoselenophene]?
5,5'-spirobi[dibenzoselenophene] has a molecular weight of 383.35 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-spirobi[dibenzoselenophene] is sourced from PubChem (CID 14399752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).