3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole

C36H21NOS — CID 118458137

IUPAC3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4sc5ccccc5c34)cccc12
InChIInChI=1S/C36H21NOS/c1-4-14-29-24(9-1)28-21-22(23-12-7-13-26-25-10-2-5-16-32(25)38-36(23)26)19-20-30(28)37(29)31-15-8-18-34-35(31)27-11-3-6-17-33(27)39-34/h1-21H
InChIKeyZWXNOYIAPDQXTQ-UHFFFAOYSA-N
MW515.64 g/mol
LogP10.72
Rot. Bonds2

About 3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole

3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole (PubChem CID 118458137) has the molecular formula C36H21NOS and a molecular weight of 515.64 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole
PubChem CID118458137
Molecular FormulaC36H21NOS
Molecular Weight515.64 g/mol
Exact Mass515.13
IUPAC Name3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4sc5ccccc5c34)cccc12
InChIInChI=1S/C36H21NOS/c1-4-14-29-24(9-1)28-21-22(23-12-7-13-26-25-10-2-5-16-32(25)38-36(23)26)19-20-30(28)37(29)31-15-8-18-34-35(31)27-11-3-6-17-33(27)39-34/h1-21H
InChIKeyZWXNOYIAPDQXTQ-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

9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
3-dibenzofuran-3-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-1-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 165110664
9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole
CID 170286447
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
3-dibenzofuran-3-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-1-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 163517609
3-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164972458
9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole
CID 170688601
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 121449399
3-[3-(9-dibenzofuran-1-ylcarbazol-3-yl)-1-benzothiophen-2-yl]-9-dibenzothiophen-1-ylcarbazole
CID 90291742
9-(7-dibenzofuran-4-yldibenzofuran-1-yl)carbazole
CID 170284005
3-dibenzofuran-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-1-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 164972268

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole (CID 118458137) is 3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole is c1ccc2c(c1)oc1c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4sc5ccccc5c34)cccc12.
What is the InChIKey of 3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole?
The InChIKey is ZWXNOYIAPDQXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NOS/c1-4-14-29-24(9-1)28-21-22(23-12-7-13-26-25-10-2-5-16-32(25)38-36(23)26)19-20-30(28)37(29)31-15-8-18-34-35(31)27-11-3-6-17-33(27)39-34/h1-21H.
What are the key properties of 3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole?
3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole 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 3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole is sourced from PubChem (CID 118458137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).