9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole

C36H21NOS — CID 170286447

IUPAC9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole
SMILESc1ccc2c(c1)oc1cccc(-c3ccc4sc5cccc(-n6c7ccccc7c7ccccc76)c5c4c3)c12
InChIInChI=1S/C36H21NOS/c1-4-13-28-24(9-1)25-10-2-5-14-29(25)37(28)30-15-8-18-34-36(30)27-21-22(19-20-33(27)39-34)23-12-7-17-32-35(23)26-11-3-6-16-31(26)38-32/h1-21H
InChIKeyWLTCCGMUYYLVCK-UHFFFAOYSA-N
MW515.64 g/mol
LogP10.72
Rot. Bonds2

About 9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole

9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole (PubChem CID 170286447) has the molecular formula C36H21NOS and a molecular weight of 515.64 g/mol. Its IUPAC name is 9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole.

Molecular Properties

Compound Name9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole
PubChem CID170286447
Molecular FormulaC36H21NOS
Molecular Weight515.64 g/mol
Exact Mass515.13
IUPAC Name9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole
SMILESc1ccc2c(c1)oc1cccc(-c3ccc4sc5cccc(-n6c7ccccc7c7ccccc76)c5c4c3)c12
InChIInChI=1S/C36H21NOS/c1-4-13-28-24(9-1)25-10-2-5-14-29(25)37(28)30-15-8-18-34-36(30)27-21-22(19-20-33(27)39-34)23-12-7-17-32-35(23)26-11-3-6-16-31(26)38-32/h1-21H
InChIKeyWLTCCGMUYYLVCK-UHFFFAOYSA-N
XLogP10.72
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole
CID 118458137
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
3-[3-(9-dibenzofuran-1-ylcarbazol-3-yl)-1-benzothiophen-2-yl]-9-dibenzothiophen-1-ylcarbazole
CID 90291742
9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole
CID 170688601
9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 170278265
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
CID 166962189
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]carbazole
CID 169011089
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010927
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
9-[2-(4-dibenzofuran-1-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534463

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole?
The IUPAC name of 9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole (CID 170286447) is 9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole.
What is the SMILES notation for 9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole?
The canonical SMILES for 9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole is c1ccc2c(c1)oc1cccc(-c3ccc4sc5cccc(-n6c7ccccc7c7ccccc76)c5c4c3)c12.
What is the InChIKey of 9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole?
The InChIKey is WLTCCGMUYYLVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NOS/c1-4-13-28-24(9-1)25-10-2-5-14-29(25)37(28)30-15-8-18-34-36(30)27-21-22(19-20-33(27)39-34)23-12-7-17-32-35(23)26-11-3-6-16-31(26)38-32/h1-21H.
What are the key properties of 9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole?
9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole has a molecular weight of 515.64 g/mol, XLogP of 10.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole is sourced from PubChem (CID 170286447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).