3,4,5-triphenyl-1,2-benzoselenazole

C25H17NSe — CID 141060588

IUPAC3,4,5-triphenyl-1,2-benzoselenazole
SMILESc1ccc(-c2ccc3[se]nc(-c4ccccc4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C25H17NSe/c1-4-10-18(11-5-1)21-16-17-22-24(23(21)19-12-6-2-7-13-19)25(26-27-22)20-14-8-3-9-15-20/h1-17H
InChIKeyCUDCTQNIVSMLIC-UHFFFAOYSA-N
MW410.38 g/mol
LogP6.29
Rot. Bonds3

About 3,4,5-triphenyl-1,2-benzoselenazole

3,4,5-triphenyl-1,2-benzoselenazole (PubChem CID 141060588) has the molecular formula C25H17NSe and a molecular weight of 410.38 g/mol. Its IUPAC name is 3,4,5-triphenyl-1,2-benzoselenazole.

Molecular Properties

Compound Name3,4,5-triphenyl-1,2-benzoselenazole
PubChem CID141060588
Molecular FormulaC25H17NSe
Molecular Weight410.38 g/mol
Exact Mass411.05
IUPAC Name3,4,5-triphenyl-1,2-benzoselenazole
SMILESc1ccc(-c2ccc3[se]nc(-c4ccccc4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C25H17NSe/c1-4-10-18(11-5-1)21-16-17-22-24(23(21)19-12-6-2-7-13-19)25(26-27-22)20-14-8-3-9-15-20/h1-17H
InChIKeyCUDCTQNIVSMLIC-UHFFFAOYSA-N
XLogP6.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.38
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,4,5-triphenyl-1,2-benzoselenazole?
The IUPAC name of 3,4,5-triphenyl-1,2-benzoselenazole (CID 141060588) is 3,4,5-triphenyl-1,2-benzoselenazole.
What is the SMILES notation for 3,4,5-triphenyl-1,2-benzoselenazole?
The canonical SMILES for 3,4,5-triphenyl-1,2-benzoselenazole is c1ccc(-c2ccc3[se]nc(-c4ccccc4)c3c2-c2ccccc2)cc1.
What is the InChIKey of 3,4,5-triphenyl-1,2-benzoselenazole?
The InChIKey is CUDCTQNIVSMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NSe/c1-4-10-18(11-5-1)21-16-17-22-24(23(21)19-12-6-2-7-13-19)25(26-27-22)20-14-8-3-9-15-20/h1-17H.
What are the key properties of 3,4,5-triphenyl-1,2-benzoselenazole?
3,4,5-triphenyl-1,2-benzoselenazole has a molecular weight of 410.38 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triphenyl-1,2-benzoselenazole is sourced from PubChem (CID 141060588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).