2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole

C44H23N5O4S — CID 58501580

IUPAC2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole
SMILESc1csc(-c2ccc3oc4ccc(-c5ccc6oc7ccc(-n8c9ccc(-c%10nnco%10)cc9c9cc(-c%10nnco%10)ccc98)cc7c6c5)cc4c3c2)c1
InChIInChI=1S/C44H23N5O4S/c1-2-42(54-15-1)26-7-13-40-34(18-26)32-16-24(5-11-38(32)52-40)25-6-12-39-33(17-25)35-21-29(8-14-41(35)53-39)49-36-9-3-27(43-47-45-22-50-43)19-30(36)31-20-28(4-10-37(31)49)44-48-46-23-51-44/h1-23H
InChIKeyGLGFHPCVGMUAOZ-UHFFFAOYSA-N
MW717.77 g/mol
LogP12.08
Rot. Bonds5

About 2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole

2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole (PubChem CID 58501580) has the molecular formula C44H23N5O4S and a molecular weight of 717.77 g/mol. Its IUPAC name is 2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole
PubChem CID58501580
Molecular FormulaC44H23N5O4S
Molecular Weight717.77 g/mol
Exact Mass717.15
IUPAC Name2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole
SMILESc1csc(-c2ccc3oc4ccc(-c5ccc6oc7ccc(-n8c9ccc(-c%10nnco%10)cc9c9cc(-c%10nnco%10)ccc98)cc7c6c5)cc4c3c2)c1
InChIInChI=1S/C44H23N5O4S/c1-2-42(54-15-1)26-7-13-40-34(18-26)32-16-24(5-11-38(32)52-40)25-6-12-39-33(17-25)35-21-29(8-14-41(35)53-39)49-36-9-3-27(43-47-45-22-50-43)19-30(36)31-20-28(4-10-37(31)49)44-48-46-23-51-44/h1-23H
InChIKeyGLGFHPCVGMUAOZ-UHFFFAOYSA-N
XLogP12.08
TPSA109.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.77
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;8-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]dibenzofuran-2-carbonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline
CID 157862635
5-[9-(8-Carbazol-9-yldibenzofuran-2-yl)-6-methylcarbazol-3-yl]-1,3-benzoxazole;3-dibenzothiophen-2-yl-6-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole
CID 161961631
3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole
CID 163847508
9-[8-[3-(8-Carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole
CID 163895964
9-(4-Methoxyphenyl)-3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)-9h-carbazole
CID 101380533
9-[8-(8-Phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]carbazole
CID 57544108
9-[8-(8-Carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole
CID 57653807
9-[8-[8-(8-Carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]carbazole
CID 57958224
3-Dibenzothiophen-2-yl-9-[8-(3-dibenzothiophen-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 57997678
3,6-Di(dibenzofuran-2-yl)-9-[8-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 57997694
3-Dibenzofuran-2-yl-9-[8-(3-dibenzofuran-2-ylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 57997703

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole (CID 58501580) is 2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole is c1csc(-c2ccc3oc4ccc(-c5ccc6oc7ccc(-n8c9ccc(-c%10nnco%10)cc9c9cc(-c%10nnco%10)ccc98)cc7c6c5)cc4c3c2)c1.
What is the InChIKey of 2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is GLGFHPCVGMUAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H23N5O4S/c1-2-42(54-15-1)26-7-13-40-34(18-26)32-16-24(5-11-38(32)52-40)25-6-12-39-33(17-25)35-21-29(8-14-41(35)53-39)49-36-9-3-27(43-47-45-22-50-43)19-30(36)31-20-28(4-10-37(31)49)44-48-46-23-51-44/h1-23H.
What are the key properties of 2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole?
2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 717.77 g/mol, XLogP of 12.08, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3,4-oxadiazol-2-yl)-9-[8-(8-thiophen-2-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 58501580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).