2,3-bis(phenylselanylmethyl)quinoxaline

C22H18N2Se2 — CID 102448191

IUPAC2,3-bis(phenylselanylmethyl)quinoxaline
SMILESc1ccc([Se]Cc2nc3ccccc3nc2C[Se]c2ccccc2)cc1
InChIInChI=1S/C22H18N2Se2/c1-3-9-17(10-4-1)25-15-21-22(16-26-18-11-5-2-6-12-18)24-20-14-8-7-13-19(20)23-21/h1-14H,15-16H2
InChIKeyNECUJJQWEKRQEN-UHFFFAOYSA-N
MW468.32 g/mol
LogP2.69
Rot. Bonds6

About 2,3-bis(phenylselanylmethyl)quinoxaline

2,3-bis(phenylselanylmethyl)quinoxaline (PubChem CID 102448191) has the molecular formula C22H18N2Se2 and a molecular weight of 468.32 g/mol. Its IUPAC name is 2,3-bis(phenylselanylmethyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(phenylselanylmethyl)quinoxaline
PubChem CID102448191
Molecular FormulaC22H18N2Se2
Molecular Weight468.32 g/mol
Exact Mass469.98
IUPAC Name2,3-bis(phenylselanylmethyl)quinoxaline
SMILESc1ccc([Se]Cc2nc3ccccc3nc2C[Se]c2ccccc2)cc1
InChIInChI=1S/C22H18N2Se2/c1-3-9-17(10-4-1)25-15-21-22(16-26-18-11-5-2-6-12-18)24-20-14-8-7-13-19(20)23-21/h1-14H,15-16H2
InChIKeyNECUJJQWEKRQEN-UHFFFAOYSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,3-bis(phenylselanylmethyl)quinoxaline?
The IUPAC name of 2,3-bis(phenylselanylmethyl)quinoxaline (CID 102448191) is 2,3-bis(phenylselanylmethyl)quinoxaline.
What is the SMILES notation for 2,3-bis(phenylselanylmethyl)quinoxaline?
The canonical SMILES for 2,3-bis(phenylselanylmethyl)quinoxaline is c1ccc([Se]Cc2nc3ccccc3nc2C[Se]c2ccccc2)cc1.
What is the InChIKey of 2,3-bis(phenylselanylmethyl)quinoxaline?
The InChIKey is NECUJJQWEKRQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2Se2/c1-3-9-17(10-4-1)25-15-21-22(16-26-18-11-5-2-6-12-18)24-20-14-8-7-13-19(20)23-21/h1-14H,15-16H2.
What are the key properties of 2,3-bis(phenylselanylmethyl)quinoxaline?
2,3-bis(phenylselanylmethyl)quinoxaline has a molecular weight of 468.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(phenylselanylmethyl)quinoxaline is sourced from PubChem (CID 102448191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).