2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole

C28H17N3OS — CID 118227969

IUPAC2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5c6sccc6ccc54)c3)o2)cc1
InChIInChI=1S/C28H17N3OS/c1-2-7-19(8-3-1)27-29-30-28(32-27)20-9-6-10-21(17-20)31-23-12-5-4-11-22(23)25-24(31)14-13-18-15-16-33-26(18)25/h1-17H
InChIKeyMUWJGRLDJHULAP-UHFFFAOYSA-N
MW443.53 g/mol
LogP7.72
Rot. Bonds3

About 2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole

2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole (PubChem CID 118227969) has the molecular formula C28H17N3OS and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole
PubChem CID118227969
Molecular FormulaC28H17N3OS
Molecular Weight443.53 g/mol
Exact Mass443.11
IUPAC Name2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5c6sccc6ccc54)c3)o2)cc1
InChIInChI=1S/C28H17N3OS/c1-2-7-19(8-3-1)27-29-30-28(32-27)20-9-6-10-21(17-20)31-23-12-5-4-11-22(23)25-24(31)14-13-18-15-16-33-26(18)25/h1-17H
InChIKeyMUWJGRLDJHULAP-UHFFFAOYSA-N
XLogP7.72
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole (CID 118227969) is 2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5c6sccc6ccc54)c3)o2)cc1.
What is the InChIKey of 2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole?
The InChIKey is MUWJGRLDJHULAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N3OS/c1-2-7-19(8-3-1)27-29-30-28(32-27)20-9-6-10-21(17-20)31-23-12-5-4-11-22(23)25-24(31)14-13-18-15-16-33-26(18)25/h1-17H.
What are the key properties of 2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole?
2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole has a molecular weight of 443.53 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 118227969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).