9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole

C36H21NOS — CID 170688601

IUPAC9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)sc3cccc(-n5c6ccccc6c6ccccc65)c34)cc12
InChIInChI=1S/C36H21NOS/c1-4-11-29-24(8-1)25-9-2-5-12-30(25)37(29)31-13-7-15-34-36(31)27-18-16-23(21-35(27)39-34)22-17-19-33-28(20-22)26-10-3-6-14-32(26)38-33/h1-21H
InChIKeyAHWISXIWYPSRAX-UHFFFAOYSA-N
MW515.64 g/mol
LogP10.72
Rot. Bonds2

About 9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole

9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole (PubChem CID 170688601) has the molecular formula C36H21NOS and a molecular weight of 515.64 g/mol. Its IUPAC name is 9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole.

Molecular Properties

Compound Name9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole
PubChem CID170688601
Molecular FormulaC36H21NOS
Molecular Weight515.64 g/mol
Exact Mass515.13
IUPAC Name9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)sc3cccc(-n5c6ccccc6c6ccccc65)c34)cc12
InChIInChI=1S/C36H21NOS/c1-4-11-29-24(8-1)25-9-2-5-12-30(25)37(29)31-13-7-15-34-36(31)27-18-16-23(21-35(27)39-34)22-17-19-33-28(20-22)26-10-3-6-14-32(26)38-33/h1-21H
InChIKeyAHWISXIWYPSRAX-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-[7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010921
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole
CID 170286447
3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole
CID 118458137
9-[7-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[7-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[7-[4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole
CID 158845503
3-[3-(9-dibenzofuran-1-ylcarbazol-3-yl)-1-benzothiophen-2-yl]-9-dibenzothiophen-1-ylcarbazole
CID 90291742
9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole
CID 121449385
3-(6-carbazol-9-yl-2-pyridinyl)-9-dibenzothiophen-1-ylcarbazole;3-(6-dibenzofuran-2-yl-2-pyridinyl)-9-dibenzothiophen-1-ylcarbazole;9-dibenzothiophen-1-yl-3-(6-dibenzothiophen-2-yl-2-pyridinyl)carbazole
CID 160801081
9-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]carbazole
CID 176773393
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
3-[3-(3-carbazol-9-ylphenyl)phenyl]-9-dibenzofuran-1-ylcarbazole;3-(3-carbazol-9-yl-5-phenylphenyl)-9-dibenzofuran-1-ylcarbazole;3-[3-(3-carbazol-9-ylphenyl)phenyl]-9-dibenzothiophen-1-ylcarbazole
CID 159327948
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567

Frequently Asked Questions

What is the IUPAC name of 9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole?
The IUPAC name of 9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole (CID 170688601) is 9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole.
What is the SMILES notation for 9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole?
The canonical SMILES for 9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)sc3cccc(-n5c6ccccc6c6ccccc65)c34)cc12.
What is the InChIKey of 9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole?
The InChIKey is AHWISXIWYPSRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NOS/c1-4-11-29-24(8-1)25-9-2-5-12-30(25)37(29)31-13-7-15-34-36(31)27-18-16-23(21-35(27)39-34)22-17-19-33-28(20-22)26-10-3-6-14-32(26)38-33/h1-21H.
What are the key properties of 9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole?
9-(7-dibenzofuran-2-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-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole is sourced from PubChem (CID 170688601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).