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

C34H21N3OS — CID 118228637

IUPAC2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5c6sc(-c7ccccc7)cc6ccc54)c3)o2)cc1
InChIInChI=1S/C34H21N3OS/c1-3-10-22(11-4-1)30-21-24-18-19-29-31(32(24)39-30)27-16-7-8-17-28(27)37(29)26-15-9-14-25(20-26)34-36-35-33(38-34)23-12-5-2-6-13-23/h1-21H
InChIKeyIXTSSPAVOVEPJR-UHFFFAOYSA-N
MW519.63 g/mol
LogP9.38
Rot. Bonds4

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

2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 118228637) has the molecular formula C34H21N3OS and a molecular weight of 519.63 g/mol. Its IUPAC name is 2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole
PubChem CID118228637
Molecular FormulaC34H21N3OS
Molecular Weight519.63 g/mol
Exact Mass519.14
IUPAC Name2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5c6sc(-c7ccccc7)cc6ccc54)c3)o2)cc1
InChIInChI=1S/C34H21N3OS/c1-3-10-22(11-4-1)30-21-24-18-19-29-31(32(24)39-30)27-16-7-8-17-28(27)37(29)26-15-9-14-25(20-26)34-36-35-33(38-34)23-12-5-2-6-13-23/h1-21H
InChIKeyIXTSSPAVOVEPJR-UHFFFAOYSA-N
XLogP9.38
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.63
LogP ≤ 59.38
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-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole (CID 118228637) is 2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5c6sc(-c7ccccc7)cc6ccc54)c3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is IXTSSPAVOVEPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3OS/c1-3-10-22(11-4-1)30-21-24-18-19-29-31(32(24)39-30)27-16-7-8-17-28(27)37(29)26-15-9-14-25(20-26)34-36-35-33(38-34)23-12-5-2-6-13-23/h1-21H.
What are the key properties of 2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 519.63 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 118228637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).