2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole

C26H17N3O — CID 56648794

IUPAC2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1
InChIInChI=1S/C26H17N3O/c1-2-8-18(9-3-1)25-27-28-26(30-25)19-14-16-20(17-15-19)29-23-12-6-4-10-21(23)22-11-5-7-13-24(22)29/h1-17H
InChIKeyIZJOTDOLRQTPHC-UHFFFAOYSA-N
MW387.44 g/mol
LogP6.50
Rot. Bonds3

About 2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole

2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 56648794) has the molecular formula C26H17N3O and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID56648794
Molecular FormulaC26H17N3O
Molecular Weight387.44 g/mol
Exact Mass387.14
IUPAC Name2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1
InChIInChI=1S/C26H17N3O/c1-2-8-18(9-3-1)25-27-28-26(30-25)19-14-16-20(17-15-19)29-23-12-6-4-10-21(23)22-11-5-7-13-24(22)29/h1-17H
InChIKeyIZJOTDOLRQTPHC-UHFFFAOYSA-N
XLogP6.50
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole (CID 56648794) is 2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is IZJOTDOLRQTPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O/c1-2-8-18(9-3-1)25-27-28-26(30-25)19-14-16-20(17-15-19)29-23-12-6-4-10-21(23)22-11-5-7-13-24(22)29/h1-17H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole?
2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 387.44 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 56648794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).