5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole

C44H24F3N3OS — CID 145179083

IUPAC5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(-c3ccc4scnc4c3)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C44H24F3N3OS/c45-44(46,47)27-11-15-40-33(21-27)32-19-25(26-10-18-43-36(20-26)48-24-52-43)9-14-39(32)50(40)29-13-17-42-35(23-29)34-22-28(12-16-41(34)51-42)49-37-7-3-1-5-30(37)31-6-2-4-8-38(31)49/h1-24H
InChIKeyWISIAAJGDPTNNJ-UHFFFAOYSA-N
MW699.76 g/mol
LogP13.08
Rot. Bonds3

About 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole

5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole (PubChem CID 145179083) has the molecular formula C44H24F3N3OS and a molecular weight of 699.76 g/mol. Its IUPAC name is 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole
PubChem CID145179083
Molecular FormulaC44H24F3N3OS
Molecular Weight699.76 g/mol
Exact Mass699.16
IUPAC Name5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(-c3ccc4scnc4c3)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C44H24F3N3OS/c45-44(46,47)27-11-15-40-33(21-27)32-19-25(26-10-18-43-36(20-26)48-24-52-43)9-14-39(32)50(40)29-13-17-42-35(23-29)34-22-28(12-16-41(34)51-42)49-37-7-3-1-5-30(37)31-6-2-4-8-38(31)49/h1-24H
InChIKeyWISIAAJGDPTNNJ-UHFFFAOYSA-N
XLogP13.08
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.76
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole 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
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
11-[6-(2,3,5,6-Tetrafluorophenyl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-b]carbazole
CID 122435450
11-[4-[2-[2,4,6-Tris(trifluoromethyl)phenyl]-2,3-dihydro-1,3-benzothiazol-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 124198412
3-Methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 134337708
9-(8-Carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole
CID 134343512
9-(1,3-Benzothiazol-5-yl)-6-dibenzofuran-2-yl-1,8-difluorocarbazole-3-carbonitrile
CID 134343591
3-(8-Carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole
CID 134343652
N-[5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-2-methylsulfanylphenyl]methanimine
CID 134343667
3-(Trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 134343726
11-[4-[2-[2,4,6-Tris(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 135252636

Frequently Asked Questions

What is the IUPAC name of 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole?
The IUPAC name of 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole (CID 145179083) is 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole?
The canonical SMILES for 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole is FC(F)(F)c1ccc2c(c1)c1cc(-c3ccc4scnc4c3)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole?
The InChIKey is WISIAAJGDPTNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F3N3OS/c45-44(46,47)27-11-15-40-33(21-27)32-19-25(26-10-18-43-36(20-26)48-24-52-43)9-14-39(32)50(40)29-13-17-42-35(23-29)34-22-28(12-16-41(34)51-42)49-37-7-3-1-5-30(37)31-6-2-4-8-38(31)49/h1-24H.
What are the key properties of 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole?
5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole has a molecular weight of 699.76 g/mol, XLogP of 13.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 145179083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).