9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole

C36H21NOS — CID 170688529

IUPAC9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole
SMILESc1ccc2c(c1)oc1cc(-c3cccc4sc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)ccc12
InChIInChI=1S/C36H21NOS/c1-4-12-30-25(8-1)26-9-2-5-13-31(26)37(30)23-17-19-29-35(21-23)39-34-15-7-11-24(36(29)34)22-16-18-28-27-10-3-6-14-32(27)38-33(28)20-22/h1-21H
InChIKeyYROPFQAFCLFVQJ-UHFFFAOYSA-N
MW515.64 g/mol
LogP10.72
Rot. Bonds2

About 9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole

9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole (PubChem CID 170688529) has the molecular formula C36H21NOS and a molecular weight of 515.64 g/mol. Its IUPAC name is 9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole.

Molecular Properties

Compound Name9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole
PubChem CID170688529
Molecular FormulaC36H21NOS
Molecular Weight515.64 g/mol
Exact Mass515.13
IUPAC Name9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole
SMILESc1ccc2c(c1)oc1cc(-c3cccc4sc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)ccc12
InChIInChI=1S/C36H21NOS/c1-4-12-30-25(8-1)26-9-2-5-13-31(26)37(30)23-17-19-29-35(21-23)39-34-15-7-11-24(36(29)34)22-16-18-28-27-10-3-6-14-32(27)38-33(28)20-22/h1-21H
InChIKeyYROPFQAFCLFVQJ-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-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170276632
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
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169010716
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole
CID 142568311
9-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole
CID 165071579
3-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]carbazole
CID 177077284
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-1-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159897890
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 158680520
2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;3-dibenzofuran-1-yl-9-phenylcarbazole;2-dibenzothiophen-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4,6-diphenyl-1,3,5-triazine
CID 163752902
4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534355
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 170278265

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole?
The IUPAC name of 9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole (CID 170688529) is 9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole.
What is the SMILES notation for 9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole?
The canonical SMILES for 9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole is c1ccc2c(c1)oc1cc(-c3cccc4sc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)ccc12.
What is the InChIKey of 9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole?
The InChIKey is YROPFQAFCLFVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NOS/c1-4-12-30-25(8-1)26-9-2-5-13-31(26)37(30)23-17-19-29-35(21-23)39-34-15-7-11-24(36(29)34)22-16-18-28-27-10-3-6-14-32(27)38-33(28)20-22/h1-21H.
What are the key properties of 9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole?
9-(9-dibenzofuran-3-yldibenzothiophen-3-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-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole is sourced from PubChem (CID 170688529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).